3-(2-methoxycyclopentyl)cyclohex-2-en-1-one

C12H18O2 — CID 130587102

IUPAC3-(2-methoxycyclopentyl)cyclohex-2-en-1-one
SMILESCOC1CCCC1C1=CC(=O)CCC1
InChIInChI=1S/C12H18O2/c1-14-12-7-3-6-11(12)9-4-2-5-10(13)8-9/h8,11-12H,2-7H2,1H3
InChIKeyVWVWGFFWFGNNJA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds2

About 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one

3-(2-methoxycyclopentyl)cyclohex-2-en-1-one (PubChem CID 130587102) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-methoxycyclopentyl)cyclohex-2-en-1-one
PubChem CID130587102
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(2-methoxycyclopentyl)cyclohex-2-en-1-one
SMILESCOC1CCCC1C1=CC(=O)CCC1
InChIInChI=1S/C12H18O2/c1-14-12-7-3-6-11(12)9-4-2-5-10(13)8-9/h8,11-12H,2-7H2,1H3
InChIKeyVWVWGFFWFGNNJA-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxycyclopentyl)cyclopentene
CID 166921968
3-(3-methylcyclohexyl)cyclohex-2-en-1-one
CID 65172402
2-[(1R,2S)-2-methoxycyclohexyl]cyclohexan-1-one
CID 101057630
7-ethyl-1,2,3,6,7,7a-hexahydroinden-5-one
CID 54442326
1-(2-methoxycyclopentyl)pyrrole-2,5-dione
CID 18439075
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
3-(1,3-dithian-2-yl)cyclohex-2-en-1-one
CID 14710646
3-(3-ethylcyclohexyl)cyclohept-2-en-1-one
CID 107382942
(7R,7aS)-7-ethyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 124661281
3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
CID 18402284
3-methoxy(213C)cyclohex-2-en-1-one
CID 11789224
(8S,8aR)-8-ethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
CID 100957266

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one (CID 130587102) is 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one is COC1CCCC1C1=CC(=O)CCC1.
What is the InChIKey of 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one?
The InChIKey is VWVWGFFWFGNNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-14-12-7-3-6-11(12)9-4-2-5-10(13)8-9/h8,11-12H,2-7H2,1H3.
What are the key properties of 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one?
3-(2-methoxycyclopentyl)cyclohex-2-en-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxycyclopentyl)cyclohex-2-en-1-one is sourced from PubChem (CID 130587102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).