Cas no 17916-91-5 (3-Cyclohexene-1-methanol,a,4-dimethyl-, 1-acetate)
17916-91-5 structure
Product Name:3-Cyclohexene-1-methanol,a,4-dimethyl-, 1-acetate
CAS No:17916-91-5
MF:C11H18O2
MW:182.259423732758
CID:122647
PubChem ID:524261
Update Time:2025-04-18
3-Cyclohexene-1-methanol,a,4-dimethyl-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-methanol,a,4-dimethyl-, 1-acetate
- 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-, acetate
- 1-PARA-MENTHEN-9-YLACETATE
- 2-(4-methylcyclohex-3-en-1-yl)propyl acetate
- P-1-MENTHENYL-9-ACETATE
- 17916-91-5
- 3-Cyclohexene-1-methanol, alpha,4-dimethyl-, 1-acetate
- DTXSID801227683
-
- Inchi： 1S/C11H18O2/c1-8-4-6-11(7-5-8)9(2)13-10(3)12/h4,9,11H,5-7H2,1-3H3
- InChI Key： MUAYHOYVOVZJFF-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C)C1CC=C(C)CC1
Computed Properties
- Exact Mass: 196.1464
- Monoisotopic Mass: 182.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-Cyclohexene-1-methanol,a,4-dimethyl-, 1-acetate Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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