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

C18H30O3 — CID 124723974

IUPAC(2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1[C@@]1(O)CCCC[C@H]1C1(O)CCCCC1
InChIInChI=1S/C18H30O3/c19-15-9-3-2-8-14(15)18(21)13-7-4-10-16(18)17(20)11-5-1-6-12-17/h14,16,20-21H,1-13H2/t14-,16-,18-/m0/s1
InChIKeyXPHGQALOCHSETF-ZVZYQTTQSA-N
MW294.44 g/mol
LogP3.36
Rot. Bonds2

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

(2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one (PubChem CID 124723974) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one
PubChem CID124723974
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1[C@@]1(O)CCCC[C@H]1C1(O)CCCCC1
InChIInChI=1S/C18H30O3/c19-15-9-3-2-8-14(15)18(21)13-7-4-10-16(18)17(20)11-5-1-6-12-17/h14,16,20-21H,1-13H2/t14-,16-,18-/m0/s1
InChIKeyXPHGQALOCHSETF-ZVZYQTTQSA-N
XLogP3.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one with MolForge

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Related Compounds

(2S)-2-[(1S,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one
CID 6545665
4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 91357304
8a-hydroxy-1,2,3,3a,5,6,7,8-octahydroazulen-4-one
CID 10773424
4a-hydroxy-4-nitro-2,3,4,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrobenzo[12]annulen-1-one
CID 544211
[1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium
CID 6945981
2-(1-aminocyclohexyl)cyclohexan-1-one
CID 2771860
(4aS,9aS)-4a-hydroxy-5,6,7,8,9,9a-hexahydro-4H-benzo[7]annulene-1,3-dione
CID 139124857
2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one
CID 79429302
(1S,11R,14S)-1-hydroxy-14-methylbicyclo[9.4.0]pentadecan-12-one
CID 45380105
1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol
CID 121008865
(2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one
CID 139078634
2-hydroxycycloundecan-1-one
CID 12608300

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one (CID 124723974) is (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one is O=C1CCCC[C@@H]1[C@@]1(O)CCCC[C@H]1C1(O)CCCCC1.
What is the InChIKey of (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one?
The InChIKey is XPHGQALOCHSETF-ZVZYQTTQSA-N. The full InChI is InChI=1S/C18H30O3/c19-15-9-3-2-8-14(15)18(21)13-7-4-10-16(18)17(20)11-5-1-6-12-17/h14,16,20-21H,1-13H2/t14-,16-,18-/m0/s1.
What are the key properties of (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one?
(2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one has a molecular weight of 294.44 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one is sourced from PubChem (CID 124723974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).