(4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one

C14H20O — CID 162497752

IUPAC(4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one
SMILESC=C/C=C\CC1=C(C)[C@@H](C(C)C)CC1=O
InChIInChI=1S/C14H20O/c1-5-6-7-8-12-11(4)13(10(2)3)9-14(12)15/h5-7,10,13H,1,8-9H2,2-4H3/b7-6-/t13-/m1/s1
InChIKeyOWKABDDETNFRFY-FMFIFOJESA-N
MW204.31 g/mol
LogP3.68
Rot. Bonds4

About (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one

(4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one (PubChem CID 162497752) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one
PubChem CID162497752
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one
SMILESC=C/C=C\CC1=C(C)[C@@H](C(C)C)CC1=O
InChIInChI=1S/C14H20O/c1-5-6-7-8-12-11(4)13(10(2)3)9-14(12)15/h5-7,10,13H,1,8-9H2,2-4H3/b7-6-/t13-/m1/s1
InChIKeyOWKABDDETNFRFY-FMFIFOJESA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one
CID 139308924
[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 5371264
4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
CID 5374699
cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1S,2R)-2-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 163099467
[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] 2,2-dimethyl-3-[(1E)-2-methylbuta-1,3-dienyl]cyclopropane-1-carboxylate
CID 102518357
(E)-3-[2,2-dimethyl-3-[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl]oxycarbonylcyclopropyl]-2-methylprop-2-enoic acid
CID 102518358
(2-methyl-4-oxo-3-penta-2,4-dienylcyclopent-2-en-1-yl) 3-(2-acetyloxyprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 162989381
4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one
CID 13208641
1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one
CID 138483667
4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 143357075
2-ethyl-3-methyl-4-propan-2-ylcyclopent-2-en-1-one;2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-dione;1,2,4,5-tetrafluoro-3-methyl-6-(2-methylpropyl)benzene
CID 162235122
5-but-3-en-2-ylpyrrolidin-2-one
CID 174843717

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one (CID 162497752) is (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one is C=C/C=C\CC1=C(C)[C@@H](C(C)C)CC1=O.
What is the InChIKey of (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is OWKABDDETNFRFY-FMFIFOJESA-N. The full InChI is InChI=1S/C14H20O/c1-5-6-7-8-12-11(4)13(10(2)3)9-14(12)15/h5-7,10,13H,1,8-9H2,2-4H3/b7-6-/t13-/m1/s1.
What are the key properties of (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one?
(4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 204.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-2-[(2Z)-penta-2,4-dienyl]-4-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 162497752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).