Cas no 76489-66-2 (Cyclohexanecarboxaldehyde,4-(4-methylpentyl)-)
76489-66-2 structure
Product Name:Cyclohexanecarboxaldehyde,4-(4-methylpentyl)-
CAS No:76489-66-2
MF:C13H24O
MW:196.329064369202
CID:573157
PubChem ID:3018661
Update Time:2025-04-19
Cyclohexanecarboxaldehyde,4-(4-methylpentyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxaldehyde,4-(4-methylpentyl)-
- 4-(4-Methylpentyl)cyclohexanecarbaldehyde
- 4-(4-methylpentyl)cyclohexane-1-carbaldehyde
- SCHEMBL1532254
- NS00058751
- 76489-66-2
- EINECS 278-478-7
- DTXSID40997864
-
- Inchi： 1S/C13H24O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h10-13H,3-9H2,1-2H3
- InChI Key： IFDRPWDMFYPZLB-UHFFFAOYSA-N
- SMILES： O=CC1CCC(CCCC(C)C)CC1
Computed Properties
- Exact Mass: 196.18282
- Monoisotopic Mass: 196.182715
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 4.5
Experimental Properties
- Density: 0.904
- Boiling Point: 267.9°C at 760 mmHg
- Flash Point: 93.8°C
- Refractive Index: 1.484
- PSA: 17.07
Cyclohexanecarboxaldehyde,4-(4-methylpentyl)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
76489-66-2 (Cyclohexanecarboxaldehyde,4-(4-methylpentyl)-) Related Products
- 26254-92-2(2-Ethyl-3-methylbutanal)
- 6688-11-5(Cyclooctanecarbaldehyde)
- 18459-51-3(Hexanal, 2-butyl-)
- 110-41-8(2-METHYLUNDECANAL)
- 186971-92-6(1,4-Cyclohexanedicarboxaldehyde, trans- (9CI))
- 19009-56-4(2-METHYL-1-DECANAL)
- 16630-91-4(2-Methylheptanal)
- 2043-61-0(cyclohexanecarbaldehyde)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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