5-cyclohexylpentyl 2-hydroxybutanoate

C15H28O3 — CID 71460899

IUPAC5-cyclohexylpentyl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OCCCCCC1CCCCC1
InChIInChI=1S/C15H28O3/c1-2-14(16)15(17)18-12-8-4-7-11-13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3
InChIKeyHUCSYSYMDIRUJE-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.44
Rot. Bonds8

About 5-cyclohexylpentyl 2-hydroxybutanoate

5-cyclohexylpentyl 2-hydroxybutanoate (PubChem CID 71460899) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-cyclohexylpentyl 2-hydroxybutanoate.

Molecular Properties

Compound Name5-cyclohexylpentyl 2-hydroxybutanoate
PubChem CID71460899
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name5-cyclohexylpentyl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OCCCCCC1CCCCC1
InChIInChI=1S/C15H28O3/c1-2-14(16)15(17)18-12-8-4-7-11-13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3
InChIKeyHUCSYSYMDIRUJE-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-cyclohexylpentyl 2-hydroxybutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylpentyl 2-hydroxybutanoate?
The IUPAC name of 5-cyclohexylpentyl 2-hydroxybutanoate (CID 71460899) is 5-cyclohexylpentyl 2-hydroxybutanoate.
What is the SMILES notation for 5-cyclohexylpentyl 2-hydroxybutanoate?
The canonical SMILES for 5-cyclohexylpentyl 2-hydroxybutanoate is CCC(O)C(=O)OCCCCCC1CCCCC1.
What is the InChIKey of 5-cyclohexylpentyl 2-hydroxybutanoate?
The InChIKey is HUCSYSYMDIRUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-2-14(16)15(17)18-12-8-4-7-11-13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 5-cyclohexylpentyl 2-hydroxybutanoate?
5-cyclohexylpentyl 2-hydroxybutanoate has a molecular weight of 256.39 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylpentyl 2-hydroxybutanoate is sourced from PubChem (CID 71460899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).