(4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one

C11H14O2 — CID 11789781

IUPAC(4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one
SMILESC=C/C=C\CC1=C(C)[C@@H](O)CC1=O
InChIInChI=1S/C11H14O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h3-5,10,12H,1,6-7H2,2H3/b5-4-/t10-/m0/s1
InChIKeyIVGYSSJKFLEVIX-LWTINBJPSA-N
MW178.23 g/mol
LogP1.77
Rot. Bonds3

About (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one

(4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one (PubChem CID 11789781) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one
PubChem CID11789781
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one
SMILESC=C/C=C\CC1=C(C)[C@@H](O)CC1=O
InChIInChI=1S/C11H14O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h3-5,10,12H,1,6-7H2,2H3/b5-4-/t10-/m0/s1
InChIKeyIVGYSSJKFLEVIX-LWTINBJPSA-N
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one?
The IUPAC name of (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one (CID 11789781) is (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one is C=C/C=C\CC1=C(C)[C@@H](O)CC1=O.
What is the InChIKey of (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one?
The InChIKey is IVGYSSJKFLEVIX-LWTINBJPSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h3-5,10,12H,1,6-7H2,2H3/b5-4-/t10-/m0/s1.
What are the key properties of (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one?
(4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one has a molecular weight of 178.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11789781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).