Cas no 16726-03-7 (1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-)
16726-03-7 structure
Product Name:1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-
CAS No:16726-03-7
MF:C14H18O3
MW:234.290924549103
CID:121844
PubChem ID:85572
Update Time:2025-04-18
1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-
- 5-methyl-6-(3-methyl-2-butenyl)cyclohex-4-ene-1,2-dicarboxylic anhydride
- 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-butenyl)-
- 4-Cyclohexene-1,2-dicarboxylic anhydride, 5-methyl-6-(3-methyl-2-butenyl)-
- 5-methyl-4-(3-methylbut-2-en-1-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-butenyl)-3-isobenzofurandione
- 5-Methyl-6-(3-methyl-2-butenyl)-4-cyclohexene-1,2-dicarboxylic anhydride
- 3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-butenyl)-1
- 2-dicarboxylic anhydride, 5-methyl-6-(3-methyl-2-butenyl]-4-Cyclohexene-1
- DTXSID10864711
- 5-methyl-4-(3-methylbut-2-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- 16726-03-7
- SCHEMBL21812011
- 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-
- EINECS 240-782-2
-
- Inchi： 1S/C14H18O3/c1-8(2)4-6-10-9(3)5-7-11-12(10)14(16)17-13(11)15/h4-5,10-12H,6-7H2,1-3H3
- InChI Key： KPKSFNJCYGUOHN-UHFFFAOYSA-N
- SMILES： O1C(C2CC=C(C)C(C/C=C(\C)/C)C2C1=O)=O
Computed Properties
- Exact Mass: 486.26184
- Monoisotopic Mass: 234.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 413
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 2.4
Experimental Properties
- Boiling Point: 138 - 140 °C (3 mmHg)
- Refractive Index: 1.525
- PSA: 117.97
- LogP: 2.62470
1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
16726-03-7 (1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-) Related Products
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