(E)-hex-2-ene

C6H12 — CID 639661

IUPAC(E)-hex-2-ene
SMILESC/C=C/CCC
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyRYPKRALMXUUNKS-HWKANZROSA-N
MW84.16 g/mol
LogP2.36
Rot. Bonds2

About (E)-hex-2-ene

(E)-hex-2-ene (PubChem CID 639661) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is (E)-hex-2-ene.

Molecular Properties

Compound Name(E)-hex-2-ene
PubChem CID639661
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name(E)-hex-2-ene
SMILESC/C=C/CCC
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyRYPKRALMXUUNKS-HWKANZROSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-hex-2-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 (E)-hex-2-ene?
The IUPAC name of (E)-hex-2-ene (CID 639661) is (E)-hex-2-ene.
What is the SMILES notation for (E)-hex-2-ene?
The canonical SMILES for (E)-hex-2-ene is C/C=C/CCC.
What is the InChIKey of (E)-hex-2-ene?
The InChIKey is RYPKRALMXUUNKS-HWKANZROSA-N. The full InChI is InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+.
What are the key properties of (E)-hex-2-ene?
(E)-hex-2-ene has a molecular weight of 84.16 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-2-ene is sourced from PubChem (CID 639661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).