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

C15H24O2 — CID 106655901

IUPAC1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=CCCCCCC2)CCC1
InChIInChI=1S/C15H24O2/c1-17-15(10-7-11-15)12-14(16)13-8-5-3-2-4-6-9-13/h8H,2-7,9-12H2,1H3
InChIKeyGHUMGSSCXIMLGA-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.80
Rot. Bonds4

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

1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 106655901) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID106655901
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=CCCCCCC2)CCC1
InChIInChI=1S/C15H24O2/c1-17-15(10-7-11-15)12-14(16)13-8-5-3-2-4-6-9-13/h8H,2-7,9-12H2,1H3
InChIKeyGHUMGSSCXIMLGA-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.80
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
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
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
2-Ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)but-2-en-1-one
CID 103447262
3-Ethyl-7-methoxy-7-methyloct-2-en-4-one
CID 103447279

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone (CID 106655901) is 1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)C2=CCCCCCC2)CCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is GHUMGSSCXIMLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-17-15(10-7-11-15)12-14(16)13-8-5-3-2-4-6-9-13/h8H,2-7,9-12H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 236.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 106655901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).