1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone

C13H20O2 — CID 103162468

IUPAC1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2=CCCC2)C1
InChIInChI=1S/C13H20O2/c1-2-15-12-7-10(8-12)9-13(14)11-5-3-4-6-11/h5,10,12H,2-4,6-9H2,1H3
InChIKeyCQSMYIFXNQSUJM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.87
Rot. Bonds5

About 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone

1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103162468) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103162468
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2=CCCC2)C1
InChIInChI=1S/C13H20O2/c1-2-15-12-7-10(8-12)9-13(14)11-5-3-4-6-11/h5,10,12H,2-4,6-9H2,1H3
InChIKeyCQSMYIFXNQSUJM-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(cycloocten-1-yl)ethanone
CID 106655870
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
1-(cyclopenten-1-yl)tridecan-1-one
CID 103448100
2-(3-ethoxycyclobutyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 103167821
1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone
CID 103449976
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
CID 103162359
1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone
CID 103168138
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
1-(4-bromothiophen-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167972
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163065
2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone
CID 103167849
1-(cyclopenten-1-yl)-2,2-diethoxyethanone
CID 55269182

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103162468) is 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)C2=CCCC2)C1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is CQSMYIFXNQSUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-15-12-7-10(8-12)9-13(14)11-5-3-4-6-11/h5,10,12H,2-4,6-9H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 208.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103162468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).