1-cyclohexylpentan-2-ylbenzene

C17H26 — CID 139744385

IUPAC1-cyclohexylpentan-2-ylbenzene
SMILESCCCC(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26/c1-2-9-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15/h4,7-8,12-13,15,17H,2-3,5-6,9-11,14H2,1H3
InChIKeyXTYCOOITKOXUNX-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.54
Rot. Bonds5

About 1-cyclohexylpentan-2-ylbenzene

1-cyclohexylpentan-2-ylbenzene (PubChem CID 139744385) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-cyclohexylpentan-2-ylbenzene.

Molecular Properties

Compound Name1-cyclohexylpentan-2-ylbenzene
PubChem CID139744385
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name1-cyclohexylpentan-2-ylbenzene
SMILESCCCC(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26/c1-2-9-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15/h4,7-8,12-13,15,17H,2-3,5-6,9-11,14H2,1H3
InChIKeyXTYCOOITKOXUNX-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclohexylpentan-2-ylbenzene 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

4-cyclohexyl-3-phenylbutanal;hydrate
CID 174480187
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
2-cycloheptyl-1-phenylethanamine
CID 21261900
(3S)-4-cyclobutyl-3-phenylbutanoic acid
CID 165405443
(1-chloro-2-cyclopentylethyl)benzene
CID 63428897
2-cyclopentyl-1-phenylethanol
CID 15629098
(2R)-1-cyclohexyl-N-diphenylphosphorylpentan-2-amine
CID 134926251
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
CID 145163043
4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
CID 81024739

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpentan-2-ylbenzene?
The IUPAC name of 1-cyclohexylpentan-2-ylbenzene (CID 139744385) is 1-cyclohexylpentan-2-ylbenzene.
What is the SMILES notation for 1-cyclohexylpentan-2-ylbenzene?
The canonical SMILES for 1-cyclohexylpentan-2-ylbenzene is CCCC(CC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexylpentan-2-ylbenzene?
The InChIKey is XTYCOOITKOXUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-2-9-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15/h4,7-8,12-13,15,17H,2-3,5-6,9-11,14H2,1H3.
What are the key properties of 1-cyclohexylpentan-2-ylbenzene?
1-cyclohexylpentan-2-ylbenzene has a molecular weight of 230.40 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpentan-2-ylbenzene is sourced from PubChem (CID 139744385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).