(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one

C12H20O2 — CID 11830360

IUPAC(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H20O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h9-11,13H,1-8H2/t9-,10-,11+/m0/s1
InChIKeyOZXHEKGPPPWDHZ-GARJFASQSA-N
MW196.29 g/mol
LogP2.30
Rot. Bonds1

About (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one

(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one (PubChem CID 11830360) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
PubChem CID11830360
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H20O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h9-11,13H,1-8H2/t9-,10-,11+/m0/s1
InChIKeyOZXHEKGPPPWDHZ-GARJFASQSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one
CID 102217241
2-(4-hydroxyoxolan-3-yl)cycloheptan-1-one
CID 126975973
2-(2-hydroxycycloheptyl)-4-methylcyclohexan-1-one
CID 79417938
2-[(1R,2S)-2-methoxycyclohexyl]cyclohexan-1-one
CID 101057630
(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
CID 102156481
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one
CID 102073717
2-(2-hydroxycycloheptyl)-4-propan-2-ylcyclohexan-1-one
CID 79417161
(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
CID 102059008
2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549641
2-(2-ethylcyclohexyl)cycloheptan-1-one
CID 63861686
4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one
CID 79417052

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one (CID 11830360) is (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one is O=C1CCCC[C@H]1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one?
The InChIKey is OZXHEKGPPPWDHZ-GARJFASQSA-N. The full InChI is InChI=1S/C12H20O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h9-11,13H,1-8H2/t9-,10-,11+/m0/s1.
What are the key properties of (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one?
(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one is sourced from PubChem (CID 11830360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).