3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one

C15H22O2 — CID 10354011

IUPAC3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one
SMILESCC(=O)CC/C(=C\C1=C(C)CCC1=O)C(C)C
InChIInChI=1S/C15H22O2/c1-10(2)13(7-6-12(4)16)9-14-11(3)5-8-15(14)17/h9-10H,5-8H2,1-4H3/b13-9+
InChIKeyOHMUFLMVZOSQEE-UKTHLTGXSA-N
MW234.34 g/mol
LogP3.62
Rot. Bonds5

About 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one

3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one (PubChem CID 10354011) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one
PubChem CID10354011
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one
SMILESCC(=O)CC/C(=C\C1=C(C)CCC1=O)C(C)C
InChIInChI=1S/C15H22O2/c1-10(2)13(7-6-12(4)16)9-14-11(3)5-8-15(14)17/h9-10H,5-8H2,1-4H3/b13-9+
InChIKeyOHMUFLMVZOSQEE-UKTHLTGXSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one (CID 10354011) is 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one is CC(=O)CC/C(=C\C1=C(C)CCC1=O)C(C)C.
What is the InChIKey of 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one?
The InChIKey is OHMUFLMVZOSQEE-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)13(7-6-12(4)16)9-14-11(3)5-8-15(14)17/h9-10H,5-8H2,1-4H3/b13-9+.
What are the key properties of 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one?
3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-5-oxo-2-propan-2-ylhex-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 10354011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).