1-hexyl-3-methylcyclopentane

C12H24 — CID 544055

IUPAC1-hexyl-3-methylcyclopentane
SMILESCCCCCCC1CCC(C)C1
InChIInChI=1S/C12H24/c1-3-4-5-6-7-12-9-8-11(2)10-12/h11-12H,3-10H2,1-2H3
InChIKeyHWRYHSGAVPPRHI-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds5

About 1-hexyl-3-methylcyclopentane

1-hexyl-3-methylcyclopentane (PubChem CID 544055) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-hexyl-3-methylcyclopentane.

Molecular Properties

Compound Name1-hexyl-3-methylcyclopentane
PubChem CID544055
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-hexyl-3-methylcyclopentane
SMILESCCCCCCC1CCC(C)C1
InChIInChI=1S/C12H24/c1-3-4-5-6-7-12-9-8-11(2)10-12/h11-12H,3-10H2,1-2H3
InChIKeyHWRYHSGAVPPRHI-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-hexyl-3-methylcyclopentane 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-hexyl-3-methylcyclopentane?
The IUPAC name of 1-hexyl-3-methylcyclopentane (CID 544055) is 1-hexyl-3-methylcyclopentane.
What is the SMILES notation for 1-hexyl-3-methylcyclopentane?
The canonical SMILES for 1-hexyl-3-methylcyclopentane is CCCCCCC1CCC(C)C1.
What is the InChIKey of 1-hexyl-3-methylcyclopentane?
The InChIKey is HWRYHSGAVPPRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-3-4-5-6-7-12-9-8-11(2)10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-hexyl-3-methylcyclopentane?
1-hexyl-3-methylcyclopentane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methylcyclopentane is sourced from PubChem (CID 544055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).