1-methoxyhexylcyclopentane

C12H24O — CID 71322775

IUPAC1-methoxyhexylcyclopentane
SMILESCCCCCC(OC)C1CCCC1
InChIInChI=1S/C12H24O/c1-3-4-5-10-12(13-2)11-8-6-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyPRVQHPYGWTXVAS-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds6

About 1-methoxyhexylcyclopentane

1-methoxyhexylcyclopentane (PubChem CID 71322775) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-methoxyhexylcyclopentane.

Molecular Properties

Compound Name1-methoxyhexylcyclopentane
PubChem CID71322775
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-methoxyhexylcyclopentane
SMILESCCCCCC(OC)C1CCCC1
InChIInChI=1S/C12H24O/c1-3-4-5-10-12(13-2)11-8-6-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyPRVQHPYGWTXVAS-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxyhexylcyclopentane 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 1-methoxyhexylcyclopentane?
The IUPAC name of 1-methoxyhexylcyclopentane (CID 71322775) is 1-methoxyhexylcyclopentane.
What is the SMILES notation for 1-methoxyhexylcyclopentane?
The canonical SMILES for 1-methoxyhexylcyclopentane is CCCCCC(OC)C1CCCC1.
What is the InChIKey of 1-methoxyhexylcyclopentane?
The InChIKey is PRVQHPYGWTXVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-10-12(13-2)11-8-6-7-9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-methoxyhexylcyclopentane?
1-methoxyhexylcyclopentane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyhexylcyclopentane is sourced from PubChem (CID 71322775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).