(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'}

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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).