1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane

C27H52 — CID 143825239

IUPAC1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane
SMILESCC1CCC(C2CCCCC2)CC1.CCC(C)CCCC1CCCCC1C
InChIInChI=1S/C14H28.C13H24/c1-4-12(2)8-7-11-14-10-6-5-9-13(14)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h12-14H,4-11H2,1-3H3;11-13H,2-10H2,1H3
InChIKeyOBWKDLHYSJDTGE-UHFFFAOYSA-N
MW376.71 g/mol
LogP9.42
Rot. Bonds6

About 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane

1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane (PubChem CID 143825239) has the molecular formula C27H52 and a molecular weight of 376.71 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane
PubChem CID143825239
Molecular FormulaC27H52
Molecular Weight376.71 g/mol
Exact Mass376.41
IUPAC Name1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane
SMILESCC1CCC(C2CCCCC2)CC1.CCC(C)CCCC1CCCCC1C
InChIInChI=1S/C14H28.C13H24/c1-4-12(2)8-7-11-14-10-6-5-9-13(14)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h12-14H,4-11H2,1-3H3;11-13H,2-10H2,1H3
InChIKeyOBWKDLHYSJDTGE-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.71
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(5-methylheptyl)cycloheptane
CID 123996551
1-(3,7-dimethylnonyl)-2-methylcyclopentane
CID 123956803
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
1-decyl-2-methylcyclohexane
CID 123746851
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
1-butyl-2-(16,21-dimethyldocosyl)cyclohexane;2,7,25,30-tetramethylhentriacontane;3,8,24,29-tetramethylhentriacontane
CID 160713587
1-butyl-2-methylcyclopentane;ethane
CID 143661628
1-methyl-2-nonylcycloheptane;2-methylpentanal
CID 174407340
2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane
CID 142988239
4-(2-methylcyclohexyl)butan-2-ol
CID 131147117
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
4-butan-2-yl-1-(4-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123912023

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane (CID 143825239) is 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane is CC1CCC(C2CCCCC2)CC1.CCC(C)CCCC1CCCCC1C.
What is the InChIKey of 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane?
The InChIKey is OBWKDLHYSJDTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C13H24/c1-4-12(2)8-7-11-14-10-6-5-9-13(14)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h12-14H,4-11H2,1-3H3;11-13H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane?
1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane has a molecular weight of 376.71 g/mol, XLogP of 9.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane is sourced from PubChem (CID 143825239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).