1-butyl-1-cyclohexyl-4-methylcyclohexane

C17H32 — CID 139676896

IUPAC1-butyl-1-cyclohexyl-4-methylcyclohexane
SMILESCCCCC1(C2CCCCC2)CCC(C)CC1
InChIInChI=1S/C17H32/c1-3-4-12-17(13-10-15(2)11-14-17)16-8-6-5-7-9-16/h15-16H,3-14H2,1-2H3
InChIKeyNNJCCWHXAPDRFE-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.95
Rot. Bonds4

About 1-butyl-1-cyclohexyl-4-methylcyclohexane

1-butyl-1-cyclohexyl-4-methylcyclohexane (PubChem CID 139676896) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-butyl-1-cyclohexyl-4-methylcyclohexane.

Molecular Properties

Compound Name1-butyl-1-cyclohexyl-4-methylcyclohexane
PubChem CID139676896
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-butyl-1-cyclohexyl-4-methylcyclohexane
SMILESCCCCC1(C2CCCCC2)CCC(C)CC1
InChIInChI=1S/C17H32/c1-3-4-12-17(13-10-15(2)11-14-17)16-8-6-5-7-9-16/h15-16H,3-14H2,1-2H3
InChIKeyNNJCCWHXAPDRFE-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butyl-1-cyclohexyl-4-methylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-1-cycloheptylcycloheptane
CID 140610618
4-butyl-4-cyclohexylcyclohexane-1-carbonitrile
CID 143135178
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
1,1-dibutyl-4-methylcyclohexane
CID 147112544
1-(4-butyl-4-cyclohexyl-1-heptylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607516
4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde
CID 174896798
1-butyl-1-(4-ethenylcyclohexyl)cyclohexane
CID 162340884
[(1R,3R)-1-cyclohexyl-3-methylcyclopentyl]methanol
CID 134970135
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848
(4-butyl-1-cycloheptylcyclohexyl)methanamine
CID 82933672
1-butyl-4-methylcyclohexane-1-carboxylic acid
CID 65395323

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-cyclohexyl-4-methylcyclohexane?
The IUPAC name of 1-butyl-1-cyclohexyl-4-methylcyclohexane (CID 139676896) is 1-butyl-1-cyclohexyl-4-methylcyclohexane.
What is the SMILES notation for 1-butyl-1-cyclohexyl-4-methylcyclohexane?
The canonical SMILES for 1-butyl-1-cyclohexyl-4-methylcyclohexane is CCCCC1(C2CCCCC2)CCC(C)CC1.
What is the InChIKey of 1-butyl-1-cyclohexyl-4-methylcyclohexane?
The InChIKey is NNJCCWHXAPDRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-3-4-12-17(13-10-15(2)11-14-17)16-8-6-5-7-9-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-butyl-1-cyclohexyl-4-methylcyclohexane?
1-butyl-1-cyclohexyl-4-methylcyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-cyclohexyl-4-methylcyclohexane is sourced from PubChem (CID 139676896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).