1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one

C11H16O2 — CID 67418033

IUPAC1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one
SMILESCCCC(=O)C(OC)C1C=CC=C1
InChIInChI=1S/C11H16O2/c1-3-6-10(12)11(13-2)9-7-4-5-8-9/h4-5,7-9,11H,3,6H2,1-2H3
InChIKeySDKAFCLOGCZESG-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds5

About 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one

1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one (PubChem CID 67418033) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one
PubChem CID67418033
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one
SMILESCCCC(=O)C(OC)C1C=CC=C1
InChIInChI=1S/C11H16O2/c1-3-6-10(12)11(13-2)9-7-4-5-8-9/h4-5,7-9,11H,3,6H2,1-2H3
InChIKeySDKAFCLOGCZESG-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one (CID 67418033) is 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one is CCCC(=O)C(OC)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one?
The InChIKey is SDKAFCLOGCZESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-6-10(12)11(13-2)9-7-4-5-8-9/h4-5,7-9,11H,3,6H2,1-2H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one?
1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-1-methoxypentan-2-one is sourced from PubChem (CID 67418033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).