1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone

C12H18O2 — CID 103555962

IUPAC1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=CCCC2)CCC1
InChIInChI=1S/C12H18O2/c1-14-12(7-4-8-12)9-11(13)10-5-2-3-6-10/h5H,2-4,6-9H2,1H3
InChIKeyHVKHGBIVMCZTBW-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds4

About 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone

1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103555962) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103555962
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=CCCC2)CCC1
InChIInChI=1S/C12H18O2/c1-14-12(7-4-8-12)9-11(13)10-5-2-3-6-10/h5H,2-4,6-9H2,1H3
InChIKeyHVKHGBIVMCZTBW-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Methoxy-3-methylbutyl)-5-methylcyclohex-5-en-1-one
CID 10899886
3-(6-Methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one
CID 13888150
Methyl 2-oxo-3-pentylcyclopent-3-enecarboxylate
CID 68453577
3-Butyl-4-methoxy-4-methyl-5-methylidenecyclopent-2-en-1-one
CID 9997053
[(Z)-(3-butyl-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10029226
3-Butyl-5-ethylidene-4-methoxy-4-methylcyclopent-2-en-1-one
CID 10337851
(5E)-3-butyl-5-ethylidene-4-methoxy-4-methylcyclopent-2-en-1-one
CID 15967258
3-(3-Methoxy-3-methylbutyl)cyclohex-2-en-1-one
CID 103037513
3-(3-Methoxy-3-methylbutyl)cyclopent-2-en-1-one
CID 103037515
1-(Cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162468
2-Ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
3-Ethyl-7-methoxy-7-methyloct-2-en-4-one
CID 103447279

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103555962) is 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)C2=CCCC2)CCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is HVKHGBIVMCZTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-14-12(7-4-8-12)9-11(13)10-5-2-3-6-10/h5H,2-4,6-9H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 194.27 g/mol, XLogP of 2.62, 4 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-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103555962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).