1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one

C11H16O2 — CID 67370392

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

About 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one

1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one (PubChem CID 67370392) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one
PubChem CID67370392
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one
SMILESCCCC(=O)C1(COC)C=CC=C1
InChIInChI=1S/C11H16O2/c1-3-6-10(12)11(9-13-2)7-4-5-8-11/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyLJBZHHZXPVUZTA-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-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

Graphostromol D
CID 146682847
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368364
1-[1-(Methoxymethyl)-2-methylcyclohexa-2,5-dien-1-yl]propan-1-one
CID 67368463
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one
CID 67368968
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67369064
1-[1-(Methoxymethyl)-2,6-dimethylcyclohexa-2,5-dien-1-yl]propan-1-one
CID 67369839
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one
CID 67369845
1-[1-(Methoxymethyl)cyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67369865
1-[1-(Methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67370021
1-[1-(Methoxymethyl)cyclohexa-2,5-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67370171
1-[1-(Methoxymethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one
CID 67370290
1-[1-(Methoxymethyl)cyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67370361

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one (CID 67370392) is 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one is CCCC(=O)C1(COC)C=CC=C1.
What is the InChIKey of 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one?
The InChIKey is LJBZHHZXPVUZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-6-10(12)11(9-13-2)7-4-5-8-11/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one?
1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-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-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one is sourced from PubChem (CID 67370392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).