2-methylhept-1-ene

C8H16 — CID 27519

IUPAC2-methylhept-1-ene
SMILESC=C(C)CCCCC
InChIInChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3
InChIKeyRCBGGJURENJHKV-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.14
Rot. Bonds4

About 2-methylhept-1-ene

2-methylhept-1-ene (PubChem CID 27519) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 2-methylhept-1-ene.

Molecular Properties

Compound Name2-methylhept-1-ene
PubChem CID27519
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name2-methylhept-1-ene
SMILESC=C(C)CCCCC
InChIInChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3
InChIKeyRCBGGJURENJHKV-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-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 2-methylhept-1-ene?
The IUPAC name of 2-methylhept-1-ene (CID 27519) is 2-methylhept-1-ene.
What is the SMILES notation for 2-methylhept-1-ene?
The canonical SMILES for 2-methylhept-1-ene is C=C(C)CCCCC.
What is the InChIKey of 2-methylhept-1-ene?
The InChIKey is RCBGGJURENJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 2-methylhept-1-ene?
2-methylhept-1-ene has a molecular weight of 112.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhept-1-ene is sourced from PubChem (CID 27519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).