4-[(E)-hex-1-enyl]cyclohexene

C12H20 — CID 12808064

IUPAC4-[(E)-hex-1-enyl]cyclohexene
SMILESCCCC/C=C/C1CC=CCC1
InChIInChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-7,9,12H,2-4,8,10-11H2,1H3/b9-6+
InChIKeyZYISVXLLRKKDGU-RMKNXTFCSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds4

About 4-[(E)-hex-1-enyl]cyclohexene

4-[(E)-hex-1-enyl]cyclohexene (PubChem CID 12808064) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-[(E)-hex-1-enyl]cyclohexene.

Molecular Properties

Compound Name4-[(E)-hex-1-enyl]cyclohexene
PubChem CID12808064
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-[(E)-hex-1-enyl]cyclohexene
SMILESCCCC/C=C/C1CC=CCC1
InChIInChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-7,9,12H,2-4,8,10-11H2,1H3/b9-6+
InChIKeyZYISVXLLRKKDGU-RMKNXTFCSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hex-1-enyl]cyclohexene?
The IUPAC name of 4-[(E)-hex-1-enyl]cyclohexene (CID 12808064) is 4-[(E)-hex-1-enyl]cyclohexene.
What is the SMILES notation for 4-[(E)-hex-1-enyl]cyclohexene?
The canonical SMILES for 4-[(E)-hex-1-enyl]cyclohexene is CCCC/C=C/C1CC=CCC1.
What is the InChIKey of 4-[(E)-hex-1-enyl]cyclohexene?
The InChIKey is ZYISVXLLRKKDGU-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-7,9,12H,2-4,8,10-11H2,1H3/b9-6+.
What are the key properties of 4-[(E)-hex-1-enyl]cyclohexene?
4-[(E)-hex-1-enyl]cyclohexene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hex-1-enyl]cyclohexene is sourced from PubChem (CID 12808064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).