2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one

C12H18O2 — CID 11389951

IUPAC2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one
SMILESO=C1CCC=C1[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H18O2/c13-11-8-4-7-10(11)12(14)9-5-2-1-3-6-9/h7,9,12,14H,1-6,8H2/t12-/m0/s1
InChIKeyDSPVFOSPZJSVTN-LBPRGKRZSA-N
MW194.27 g/mol
LogP2.22
Rot. Bonds2

About 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one

2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one (PubChem CID 11389951) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one
PubChem CID11389951
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one
SMILESO=C1CCC=C1[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H18O2/c13-11-8-4-7-10(11)12(14)9-5-2-1-3-6-9/h7,9,12,14H,1-6,8H2/t12-/m0/s1
InChIKeyDSPVFOSPZJSVTN-LBPRGKRZSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-cyclopentyl(hydroxy)methyl]cyclopent-2-en-1-one
CID 102577240
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
CID 10501710
CID 10501710
2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one
CID 10856130
(R)-cycloheptyl(phenyl)methanol
CID 94502427
CID 10501709
CID 10501709
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one
CID 134978023
cyclohexyl(pyrimidin-2-yl)methanol
CID 60798580
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
2-[[4-(dimethylamino)phenyl]-hydroxymethyl]cyclopent-2-en-1-one
CID 11390613

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one (CID 11389951) is 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one is O=C1CCC=C1[C@@H](O)C1CCCCC1.
What is the InChIKey of 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one?
The InChIKey is DSPVFOSPZJSVTN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18O2/c13-11-8-4-7-10(11)12(14)9-5-2-1-3-6-9/h7,9,12,14H,1-6,8H2/t12-/m0/s1.
What are the key properties of 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one?
2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-cyclohexyl(hydroxy)methyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11389951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).