4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid

C17H30O3 — CID 79424914

IUPAC4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
SMILESCCCCC1CCC(CC2(O)CCCC2)(C(=O)O)CC1
InChIInChI=1S/C17H30O3/c1-2-3-6-14-7-11-16(12-8-14,15(18)19)13-17(20)9-4-5-10-17/h14,20H,2-13H2,1H3,(H,18,19)
InChIKeyIGRSVMLHGLSMLD-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.13
Rot. Bonds6

About 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid

4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79424914) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID79424914
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
SMILESCCCCC1CCC(CC2(O)CCCC2)(C(=O)O)CC1
InChIInChI=1S/C17H30O3/c1-2-3-6-14-7-11-16(12-8-14,15(18)19)13-17(20)9-4-5-10-17/h14,20H,2-13H2,1H3,(H,18,19)
InChIKeyIGRSVMLHGLSMLD-UHFFFAOYSA-N
XLogP4.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid 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-butyl-1-octylcyclohexane-1-carboxylic acid
CID 63403164
4-tert-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79426221
4-butyl-1-(ethoxymethyl)cyclohexane-1-carboxylic acid
CID 103984143
4-butyl-1-pent-4-ynylcyclohexane-1-carboxylic acid
CID 113374220
1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429318
4-butyl-1-(3,3,3-trifluoropropyl)cyclohexane-1-carboxylic acid
CID 79425349
4-butyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid
CID 79425457
1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
CID 79424868
4-butyl-1-(cyclopropylmethoxymethyl)cyclohexane-1-carboxylic acid
CID 106930024
4-butyl-1-(2-methylpentyl)cyclohexane-1-carboxylic acid
CID 63402944
1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
CID 79426153
1-hydroxy-4-pentylcyclohexane-1-carboxylic acid
CID 118325551

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid (CID 79424914) is 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid is CCCCC1CCC(CC2(O)CCCC2)(C(=O)O)CC1.
What is the InChIKey of 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is IGRSVMLHGLSMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-6-14-7-11-16(12-8-14,15(18)19)13-17(20)9-4-5-10-17/h14,20H,2-13H2,1H3,(H,18,19).
What are the key properties of 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid?
4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79424914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).