(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one

C11H16O — CID 129321670

IUPAC(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one
SMILESC=C/C=C/C[C@H]1CCCCC1=O
InChIInChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2-4,10H,1,5-9H2/b4-3+/t10-/m0/s1
InChIKeyVXQRTHHOMHBQSN-FSIBCCDJSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds3

About (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one

(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one (PubChem CID 129321670) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one
PubChem CID129321670
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one
SMILESC=C/C=C/C[C@H]1CCCCC1=O
InChIInChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2-4,10H,1,5-9H2/b4-3+/t10-/m0/s1
InChIKeyVXQRTHHOMHBQSN-FSIBCCDJSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one (CID 129321670) is (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one is C=C/C=C/C[C@H]1CCCCC1=O.
What is the InChIKey of (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one?
The InChIKey is VXQRTHHOMHBQSN-FSIBCCDJSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2-4,10H,1,5-9H2/b4-3+/t10-/m0/s1.
What are the key properties of (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one?
(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one is sourced from PubChem (CID 129321670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).