2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane

C23H42 — CID 123855640

IUPAC2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane
SMILESCC1CCCC(C2C(C)CCC(C3CCCCC3C)C2C)C1C
InChIInChI=1S/C23H42/c1-15-10-8-12-22(18(15)4)23-17(3)13-14-21(19(23)5)20-11-7-6-9-16(20)2/h15-23H,6-14H2,1-5H3
InChIKeyFLMFPNZSHZRNEM-UHFFFAOYSA-N
MW318.59 g/mol
LogP7.18
Rot. Bonds2

About 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane

2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane (PubChem CID 123855640) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane
PubChem CID123855640
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane
SMILESCC1CCCC(C2C(C)CCC(C3CCCCC3C)C2C)C1C
InChIInChI=1S/C23H42/c1-15-10-8-12-22(18(15)4)23-17(3)13-14-21(19(23)5)20-11-7-6-9-16(20)2/h15-23H,6-14H2,1-5H3
InChIKeyFLMFPNZSHZRNEM-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
1,2-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 143144045
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
1,2,3-trimethylcycloheptane
CID 54005509
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
2,5,7,9-tetramethylbicyclo[4.2.1]nonane
CID 123564718
ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90824446

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane?
The IUPAC name of 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane (CID 123855640) is 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane?
The canonical SMILES for 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane is CC1CCCC(C2C(C)CCC(C3CCCCC3C)C2C)C1C.
What is the InChIKey of 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane?
The InChIKey is FLMFPNZSHZRNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42/c1-15-10-8-12-22(18(15)4)23-17(3)13-14-21(19(23)5)20-11-7-6-9-16(20)2/h15-23H,6-14H2,1-5H3.
What are the key properties of 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane?
2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane has a molecular weight of 318.59 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 123855640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).