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

C27H48 — CID 143294229

IUPAC1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(C4CCCCC4)CC3)C(C)C2C)CC1
InChIInChI=1S/C27H48/c1-19-9-11-24(12-10-19)26-17-18-27(21(3)20(26)2)25-15-13-23(14-16-25)22-7-5-4-6-8-22/h19-27H,4-18H2,1-3H3
InChIKeyITXGPFHCMNZNAL-UHFFFAOYSA-N
MW372.68 g/mol
LogP8.50
Rot. Bonds3

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

1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 143294229) has the molecular formula C27H48 and a molecular weight of 372.68 g/mol. Its IUPAC name is 1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane
PubChem CID143294229
Molecular FormulaC27H48
Molecular Weight372.68 g/mol
Exact Mass372.38
IUPAC Name1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(C4CCCCC4)CC3)C(C)C2C)CC1
InChIInChI=1S/C27H48/c1-19-9-11-24(12-10-19)26-17-18-27(21(3)20(26)2)25-15-13-23(14-16-25)22-7-5-4-6-8-22/h19-27H,4-18H2,1-3H3
InChIKeyITXGPFHCMNZNAL-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 159024570
1,3-dicyclohexyl-2,7-dimethylcyclodecane
CID 20676902
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
2-chloro-3-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 89291244
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
3-cycloheptyl-2-methylcyclopentan-1-amine
CID 82924217
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane (CID 143294229) is 1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C3CCC(C4CCCCC4)CC3)C(C)C2C)CC1.
What is the InChIKey of 1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is ITXGPFHCMNZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48/c1-19-9-11-24(12-10-19)26-17-18-27(21(3)20(26)2)25-15-13-23(14-16-25)22-7-5-4-6-8-22/h19-27H,4-18H2,1-3H3.
What are the key properties of 1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane?
1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 372.68 g/mol, XLogP of 8.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 143294229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).