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

C13H20O2 — CID 103555961

IUPAC1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=CCCCC2)CCC1
InChIInChI=1S/C13H20O2/c1-15-13(8-5-9-13)10-12(14)11-6-3-2-4-7-11/h6H,2-5,7-10H2,1H3
InChIKeySPWULFVPACHXMV-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.02
Rot. Bonds4

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

1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103555961) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103555961
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=CCCCC2)CCC1
InChIInChI=1S/C13H20O2/c1-15-13(8-5-9-13)10-12(14)11-6-3-2-4-7-11/h6H,2-5,7-10H2,1H3
InChIKeySPWULFVPACHXMV-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-4-pent-1-en-2-yl-2-pentylcyclobut-2-en-1-one
CID 134894927
2-(Cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 139248711
Methyl 3-(cyclohexen-1-yl)-2-methyl-3-oxopropanoate
CID 176426942
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
6-(3-Methoxy-3-methylbutyl)-3-methylcyclohex-2-en-1-one
CID 54536359
1-(2,6,6-Trimethyloxan-2-yl)pent-3-en-2-one
CID 70562054
(E)-6-methoxy-5,7-dimethyldodec-2-en-4-one
CID 123942090
2,5-Diethyl-5-pentoxycyclohex-2-ene-1,4-dione
CID 174842943
3-Butyl-4-methoxy-4-methyl-5-methylidenecyclopent-2-en-1-one
CID 9997053
3-Butyl-5-ethylidene-4-methoxy-4-methylcyclopent-2-en-1-one
CID 10337851
Methyl 4-heptanoylcyclohex-3-ene-1-carboxylate
CID 11777007

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103555961) is 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)C2=CCCCC2)CCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is SPWULFVPACHXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-15-13(8-5-9-13)10-12(14)11-6-3-2-4-7-11/h6H,2-5,7-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 208.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103555961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).