4-methylidenehex-1-ene

C7H12 — CID 19390240

IUPAC4-methylidenehex-1-ene
SMILESC=CCC(=C)CC
InChIInChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,1,3,5-6H2,2H3
InChIKeyPNXMIJYYFPUKIF-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.53
Rot. Bonds3

About 4-methylidenehex-1-ene

4-methylidenehex-1-ene (PubChem CID 19390240) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 4-methylidenehex-1-ene.

Molecular Properties

Compound Name4-methylidenehex-1-ene
PubChem CID19390240
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name4-methylidenehex-1-ene
SMILESC=CCC(=C)CC
InChIInChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,1,3,5-6H2,2H3
InChIKeyPNXMIJYYFPUKIF-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-methylidenehex-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

Related Compounds

Isoprene
CID 6557
1-Pentene
CID 8004
1-Hexene
CID 11597
1-Heptene
CID 11610
2-Methyl-1-pentene
CID 12986
2-Methyl-1-hexene
CID 22468
2-Ethyl-1-butene
CID 12970
1,4-Pentadiene, 2,3-dimethyl-
CID 136572
2-Methyl-1,4-pentadiene
CID 12987
1,6-Heptadiene
CID 16968
3-Methylene-1-pentene
CID 18850
2-Methyl-1,5-hexadiene
CID 19965

Frequently Asked Questions

What is the IUPAC name of 4-methylidenehex-1-ene?
The IUPAC name of 4-methylidenehex-1-ene (CID 19390240) is 4-methylidenehex-1-ene.
What is the SMILES notation for 4-methylidenehex-1-ene?
The canonical SMILES for 4-methylidenehex-1-ene is C=CCC(=C)CC.
What is the InChIKey of 4-methylidenehex-1-ene?
The InChIKey is PNXMIJYYFPUKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,1,3,5-6H2,2H3.
What are the key properties of 4-methylidenehex-1-ene?
4-methylidenehex-1-ene has a molecular weight of 96.17 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenehex-1-ene is sourced from PubChem (CID 19390240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).