3-[(E)-oct-1-enyl]cyclohex-2-en-1-one

C14H22O — CID 24975701

IUPAC3-[(E)-oct-1-enyl]cyclohex-2-en-1-one
SMILESCCCCCC/C=C/C1=CC(=O)CCC1
InChIInChI=1S/C14H22O/c1-2-3-4-5-6-7-9-13-10-8-11-14(15)12-13/h7,9,12H,2-6,8,10-11H2,1H3/b9-7+
InChIKeyVSKPYAWRLWIVDZ-VQHVLOKHSA-N
MW206.33 g/mol
LogP4.19
Rot. Bonds6

About 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one

3-[(E)-oct-1-enyl]cyclohex-2-en-1-one (PubChem CID 24975701) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[(E)-oct-1-enyl]cyclohex-2-en-1-one
PubChem CID24975701
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-[(E)-oct-1-enyl]cyclohex-2-en-1-one
SMILESCCCCCC/C=C/C1=CC(=O)CCC1
InChIInChI=1S/C14H22O/c1-2-3-4-5-6-7-9-13-10-8-11-14(15)12-13/h7,9,12H,2-6,8,10-11H2,1H3/b9-7+
InChIKeyVSKPYAWRLWIVDZ-VQHVLOKHSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one (CID 24975701) is 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one is CCCCCC/C=C/C1=CC(=O)CCC1.
What is the InChIKey of 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one?
The InChIKey is VSKPYAWRLWIVDZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H22O/c1-2-3-4-5-6-7-9-13-10-8-11-14(15)12-13/h7,9,12H,2-6,8,10-11H2,1H3/b9-7+.
What are the key properties of 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one?
3-[(E)-oct-1-enyl]cyclohex-2-en-1-one has a molecular weight of 206.33 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-oct-1-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 24975701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).