2-hexyl-4-methylbicyclo[3.1.0]hexane

C13H24 — CID 163738205

IUPAC2-hexyl-4-methylbicyclo[3.1.0]hexane
SMILESCCCCCCC1CC(C)C2CC12
InChIInChI=1S/C13H24/c1-3-4-5-6-7-11-8-10(2)12-9-13(11)12/h10-13H,3-9H2,1-2H3
InChIKeyLFMRPIHXXFLBJY-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.25
Rot. Bonds5

About 2-hexyl-4-methylbicyclo[3.1.0]hexane

2-hexyl-4-methylbicyclo[3.1.0]hexane (PubChem CID 163738205) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-hexyl-4-methylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-hexyl-4-methylbicyclo[3.1.0]hexane
PubChem CID163738205
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-hexyl-4-methylbicyclo[3.1.0]hexane
SMILESCCCCCCC1CC(C)C2CC12
InChIInChI=1S/C13H24/c1-3-4-5-6-7-11-8-10(2)12-9-13(11)12/h10-13H,3-9H2,1-2H3
InChIKeyLFMRPIHXXFLBJY-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-hexyl-4-methylbicyclo[3.1.0]hexane 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

1-butyl-2-(2-methylcyclopropyl)cyclopropane
CID 123941425
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
2-methyl-4-pentylcyclobutan-1-amine
CID 138495120
2-decylbicyclo[1.1.0]butane
CID 123632675
1-propyl-2-undecylcyclopropane
CID 123636027
8-hexyltricyclo[5.2.1.02,6]decane
CID 18442200
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-methylbicyclo[3.1.0]hexane?
The IUPAC name of 2-hexyl-4-methylbicyclo[3.1.0]hexane (CID 163738205) is 2-hexyl-4-methylbicyclo[3.1.0]hexane.
What is the SMILES notation for 2-hexyl-4-methylbicyclo[3.1.0]hexane?
The canonical SMILES for 2-hexyl-4-methylbicyclo[3.1.0]hexane is CCCCCCC1CC(C)C2CC12.
What is the InChIKey of 2-hexyl-4-methylbicyclo[3.1.0]hexane?
The InChIKey is LFMRPIHXXFLBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-4-5-6-7-11-8-10(2)12-9-13(11)12/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-hexyl-4-methylbicyclo[3.1.0]hexane?
2-hexyl-4-methylbicyclo[3.1.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-methylbicyclo[3.1.0]hexane is sourced from PubChem (CID 163738205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).