(E)-hept-3-ene

C7H14 — CID 5357259

IUPAC(E)-hept-3-ene
SMILESCC/C=C/CCC
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+
InChIKeyWZHKDGJSXCTSCK-FNORWQNLSA-N
MW98.19 g/mol
LogP2.75
Rot. Bonds3

About (E)-hept-3-ene

(E)-hept-3-ene (PubChem CID 5357259) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is (E)-hept-3-ene.

Molecular Properties

Compound Name(E)-hept-3-ene
PubChem CID5357259
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name(E)-hept-3-ene
SMILESCC/C=C/CCC
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+
InChIKeyWZHKDGJSXCTSCK-FNORWQNLSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.75
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)-hept-3-ene?
The IUPAC name of (E)-hept-3-ene (CID 5357259) is (E)-hept-3-ene.
What is the SMILES notation for (E)-hept-3-ene?
The canonical SMILES for (E)-hept-3-ene is CC/C=C/CCC.
What is the InChIKey of (E)-hept-3-ene?
The InChIKey is WZHKDGJSXCTSCK-FNORWQNLSA-N. The full InChI is InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of (E)-hept-3-ene?
(E)-hept-3-ene has a molecular weight of 98.19 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hept-3-ene is sourced from PubChem (CID 5357259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).