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

C14H22O2 — CID 103555963

IUPAC1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=CCCCCC2)CCC1
InChIInChI=1S/C14H22O2/c1-16-14(9-6-10-14)11-13(15)12-7-4-2-3-5-8-12/h7H,2-6,8-11H2,1H3
InChIKeyGCQOEJKOJYAYPQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.41
Rot. Bonds4

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

1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103555963) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103555963
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=CCCCCC2)CCC1
InChIInChI=1S/C14H22O2/c1-16-14(9-6-10-14)11-13(15)12-7-4-2-3-5-8-12/h7H,2-6,8-11H2,1H3
InChIKeyGCQOEJKOJYAYPQ-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone 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

3-Methoxy-4-pent-1-en-2-yl-2-pentylcyclobut-2-en-1-one
CID 134894927
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
(E)-6-methoxy-5,7-dimethyldodec-2-en-4-one
CID 123942090
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
(5E)-3-butyl-5-ethylidene-4-methoxy-4-methylcyclopent-2-en-1-one
CID 15967258
Cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone
CID 79758237
3-(3-Methoxy-3-methylbutyl)cyclohex-2-en-1-one
CID 103037513
3-(3-Methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-one
CID 103037514
3-(3-Methoxy-3-methylbutyl)cyclopent-2-en-1-one
CID 103037515
1-(Cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162470

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103555963) is 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)C2=CCCCCC2)CCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is GCQOEJKOJYAYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-16-14(9-6-10-14)11-13(15)12-7-4-2-3-5-8-12/h7H,2-6,8-11H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 222.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103555963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).