3-(3-ethylcyclohexyl)cyclohept-2-en-1-one

C15H24O — CID 107382942

IUPAC3-(3-ethylcyclohexyl)cyclohept-2-en-1-one
SMILESCCC1CCCC(C2=CC(=O)CCCC2)C1
InChIInChI=1S/C15H24O/c1-2-12-6-5-8-13(10-12)14-7-3-4-9-15(16)11-14/h11-13H,2-10H2,1H3
InChIKeyFIVSHUJHTURZOS-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.27
Rot. Bonds2

About 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one

3-(3-ethylcyclohexyl)cyclohept-2-en-1-one (PubChem CID 107382942) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)cyclohept-2-en-1-one
PubChem CID107382942
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-(3-ethylcyclohexyl)cyclohept-2-en-1-one
SMILESCCC1CCCC(C2=CC(=O)CCCC2)C1
InChIInChI=1S/C15H24O/c1-2-12-6-5-8-13(10-12)14-7-3-4-9-15(16)11-14/h11-13H,2-10H2,1H3
InChIKeyFIVSHUJHTURZOS-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylcyclohexyl)cyclohex-2-en-1-one
CID 65172402
6-ethylcyclodecan-1-one
CID 18176981
3-(3-ethylcyclohexyl)cycloheptan-1-one
CID 64505271
(7R,7aS)-7-ethyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 124661281
7-ethyl-1,2,3,6,7,7a-hexahydroinden-5-one
CID 54442326
3-(2-methoxycyclopentyl)cyclohex-2-en-1-one
CID 130587102
2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde
CID 65415619
3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64973427
(5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one
CID 143875920
3-cyclobutyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320201
3-ethylcyclononan-1-one
CID 70178778
1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192043

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one?
The IUPAC name of 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one (CID 107382942) is 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one.
What is the SMILES notation for 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one?
The canonical SMILES for 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one is CCC1CCCC(C2=CC(=O)CCCC2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one?
The InChIKey is FIVSHUJHTURZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-12-6-5-8-13(10-12)14-7-3-4-9-15(16)11-14/h11-13H,2-10H2,1H3.
What are the key properties of 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one?
3-(3-ethylcyclohexyl)cyclohept-2-en-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)cyclohept-2-en-1-one is sourced from PubChem (CID 107382942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).