(4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one

C15H22O2 — CID 118357261

IUPAC(4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one
SMILESCCC(=O)CCC/C=C\CC1=C[C@H](C)CC1=O
InChIInChI=1S/C15H22O2/c1-3-14(16)9-7-5-4-6-8-13-10-12(2)11-15(13)17/h4,6,10,12H,3,5,7-9,11H2,1-2H3/b6-4-/t12-/m0/s1
InChIKeyBIEWXAIXLQIZDY-RNZFLTOJSA-N
MW234.34 g/mol
LogP3.62
Rot. Bonds7

About (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one

(4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one (PubChem CID 118357261) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one
PubChem CID118357261
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one
SMILESCCC(=O)CCC/C=C\CC1=C[C@H](C)CC1=O
InChIInChI=1S/C15H22O2/c1-3-14(16)9-7-5-4-6-8-13-10-12(2)11-15(13)17/h4,6,10,12H,3,5,7-9,11H2,1-2H3/b6-4-/t12-/m0/s1
InChIKeyBIEWXAIXLQIZDY-RNZFLTOJSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one (CID 118357261) is (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one is CCC(=O)CCC/C=C\CC1=C[C@H](C)CC1=O.
What is the InChIKey of (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one?
The InChIKey is BIEWXAIXLQIZDY-RNZFLTOJSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-14(16)9-7-5-4-6-8-13-10-12(2)11-15(13)17/h4,6,10,12H,3,5,7-9,11H2,1-2H3/b6-4-/t12-/m0/s1.
What are the key properties of (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one?
(4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-[(Z)-7-oxonon-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 118357261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).