(E)-hex-3-ene

C6H12 — CID 638066

IUPAC(E)-hex-3-ene
SMILESCC/C=C/CC
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyZQDPJFUHLCOCRG-AATRIKPKSA-N
MW84.16 g/mol
LogP2.36
Rot. Bonds2

About (E)-hex-3-ene

(E)-hex-3-ene (PubChem CID 638066) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is (E)-hex-3-ene.

Molecular Properties

Compound Name(E)-hex-3-ene
PubChem CID638066
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name(E)-hex-3-ene
SMILESCC/C=C/CC
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyZQDPJFUHLCOCRG-AATRIKPKSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-hex-3-ene?
The IUPAC name of (E)-hex-3-ene (CID 638066) is (E)-hex-3-ene.
What is the SMILES notation for (E)-hex-3-ene?
The canonical SMILES for (E)-hex-3-ene is CC/C=C/CC.
What is the InChIKey of (E)-hex-3-ene?
The InChIKey is ZQDPJFUHLCOCRG-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-hex-3-ene?
(E)-hex-3-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-3-ene is sourced from PubChem (CID 638066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).