1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one

C13H20O2 — CID 67370089

IUPAC1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one
SMILESCOCCC1=CC=CC1C(=O)CC(C)C
InChIInChI=1S/C13H20O2/c1-10(2)9-13(14)12-6-4-5-11(12)7-8-15-3/h4-6,10,12H,7-9H2,1-3H3
InChIKeyZYBDRCVSEBIVSU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.75
Rot. Bonds6

About 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one

1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one (PubChem CID 67370089) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one
PubChem CID67370089
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one
SMILESCOCCC1=CC=CC1C(=O)CC(C)C
InChIInChI=1S/C13H20O2/c1-10(2)9-13(14)12-6-4-5-11(12)7-8-15-3/h4-6,10,12H,7-9H2,1-3H3
InChIKeyZYBDRCVSEBIVSU-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one (CID 67370089) is 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one is COCCC1=CC=CC1C(=O)CC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one?
The InChIKey is ZYBDRCVSEBIVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)9-13(14)12-6-4-5-11(12)7-8-15-3/h4-6,10,12H,7-9H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one?
1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 67370089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).