4-methylhept-1-ene

C8H16 — CID 518713

IUPAC4-methylhept-1-ene
SMILESC=CCC(C)CCC
InChIInChI=1S/C8H16/c1-4-6-8(3)7-5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyBFGOGLKYJXQPJZ-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds4

About 4-methylhept-1-ene

4-methylhept-1-ene (PubChem CID 518713) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 4-methylhept-1-ene.

Molecular Properties

Compound Name4-methylhept-1-ene
PubChem CID518713
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name4-methylhept-1-ene
SMILESC=CCC(C)CCC
InChIInChI=1S/C8H16/c1-4-6-8(3)7-5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyBFGOGLKYJXQPJZ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-methylhept-1-ene 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 4-methylhept-1-ene?
The IUPAC name of 4-methylhept-1-ene (CID 518713) is 4-methylhept-1-ene.
What is the SMILES notation for 4-methylhept-1-ene?
The canonical SMILES for 4-methylhept-1-ene is C=CCC(C)CCC.
What is the InChIKey of 4-methylhept-1-ene?
The InChIKey is BFGOGLKYJXQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-methylhept-1-ene?
4-methylhept-1-ene has a molecular weight of 112.22 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhept-1-ene is sourced from PubChem (CID 518713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).