5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol

C14H26O4S — CID 140519074

IUPAC5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol
SMILESCC1CCC(S(=O)(=O)C2CCC(C)C(O)C2)CC1O
InChIInChI=1S/C14H26O4S/c1-9-3-5-11(7-13(9)15)19(17,18)12-6-4-10(2)14(16)8-12/h9-16H,3-8H2,1-2H3
InChIKeyXRKZMKXSZMRWFC-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.50
Rot. Bonds2

About 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol

5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol (PubChem CID 140519074) has the molecular formula C14H26O4S and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol
PubChem CID140519074
Molecular FormulaC14H26O4S
Molecular Weight290.43 g/mol
Exact Mass290.16
IUPAC Name5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol
SMILESCC1CCC(S(=O)(=O)C2CCC(C)C(O)C2)CC1O
InChIInChI=1S/C14H26O4S/c1-9-3-5-11(7-13(9)15)19(17,18)12-6-4-10(2)14(16)8-12/h9-16H,3-8H2,1-2H3
InChIKeyXRKZMKXSZMRWFC-UHFFFAOYSA-N
XLogP1.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane
CID 166684232
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
3-hydroxy-4-methylcyclohexane-1-carboxylic acid
CID 13413129
benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol
CID 161019207
(5R)-2-methyl-5-(methylamino)cyclohexan-1-ol
CID 176717328
(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane
CID 159718639
2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol
CID 153296040
4,5-dimethylcyclohexane-1,2-diol
CID 13429582

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol?
The IUPAC name of 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol (CID 140519074) is 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol.
What is the SMILES notation for 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol?
The canonical SMILES for 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol is CC1CCC(S(=O)(=O)C2CCC(C)C(O)C2)CC1O.
What is the InChIKey of 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol?
The InChIKey is XRKZMKXSZMRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4S/c1-9-3-5-11(7-13(9)15)19(17,18)12-6-4-10(2)14(16)8-12/h9-16H,3-8H2,1-2H3.
What are the key properties of 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol?
5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol is sourced from PubChem (CID 140519074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).