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

C15H24O2 — CID 103162470

IUPAC1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2=CCCCCC2)C1
InChIInChI=1S/C15H24O2/c1-2-17-14-9-12(10-14)11-15(16)13-7-5-3-4-6-8-13/h7,12,14H,2-6,8-11H2,1H3
InChIKeyYZRDIFTYNWFSTM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.65
Rot. Bonds5

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

1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103162470) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103162470
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2=CCCCCC2)C1
InChIInChI=1S/C15H24O2/c1-2-17-14-9-12(10-14)11-15(16)13-7-5-3-4-6-8-13/h7,12,14H,2-6,8-11H2,1H3
InChIKeyYZRDIFTYNWFSTM-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54580367
(1R,3S,14S)-6,10,14-trimethyl-3-(prop-1-en-2-yl)-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-one
CID 54586240
(1R,3R,6Z,10E,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-one
CID 5472849
(1R,4E,7R,10E,14R)-10,14-dimethyl-6-oxo-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene-4-carbaldehyde
CID 71508876
5-[3-(3,3-Dimethyloxiranyl)-1-methylenepropyl]-2-methyl-2-cyclohexen-1-one
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CID 15024971
ethyl (3E)-3-ethylidene-4-oxocycloheptane-1-carboxylate
CID 15832247
1-(8-Methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-6-yl)ethanone
CID 139262195
1-(8-Methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-5-yl)ethanone
CID 139262218
2-[(2R)-1-[(2S)-3,3-dimethyloxiran-2-yl]but-3-en-2-yl]-5-methylcyclohexa-2,5-diene-1,4-dione
CID 164671453
(1R,7R,10E,14R)-10,14-dimethyl-6-oxo-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene-4-carbaldehyde
CID 172021268
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103162470) is 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)C2=CCCCCC2)C1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is YZRDIFTYNWFSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-17-14-9-12(10-14)11-15(16)13-7-5-3-4-6-8-13/h7,12,14H,2-6,8-11H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 236.35 g/mol, XLogP of 3.65, 5 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-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103162470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).