2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one

C14H22O — CID 132595072

IUPAC2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one
SMILESO=C1CCCCC1/C=C/C1CCCCC1
InChIInChI=1S/C14H22O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h10-13H,1-9H2/b11-10+
InChIKeyVQSYUZXFBCAUGW-ZHACJKMWSA-N
MW206.33 g/mol
LogP3.88
Rot. Bonds2

About 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one

2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one (PubChem CID 132595072) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one
PubChem CID132595072
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one
SMILESO=C1CCCCC1/C=C/C1CCCCC1
InChIInChI=1S/C14H22O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h10-13H,1-9H2/b11-10+
InChIKeyVQSYUZXFBCAUGW-ZHACJKMWSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one?
The IUPAC name of 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one (CID 132595072) is 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one?
The canonical SMILES for 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one is O=C1CCCCC1/C=C/C1CCCCC1.
What is the InChIKey of 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one?
The InChIKey is VQSYUZXFBCAUGW-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H22O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h10-13H,1-9H2/b11-10+.
What are the key properties of 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one?
2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one has a molecular weight of 206.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cyclohexylethenyl]cyclohexan-1-one is sourced from PubChem (CID 132595072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).