(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol

C16H30O3S — CID 107192685

IUPAC(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCC1(C)CCCCC1C(O)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H30O3S/c1-16(2)10-5-4-9-14(16)15(17)12-7-6-8-13(11-12)20(3,18)19/h12-15,17H,4-11H2,1-3H3
InChIKeyHLVPLHOXOFSOHP-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.17
Rot. Bonds3

About (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol

(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 107192685) has the molecular formula C16H30O3S and a molecular weight of 302.48 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol
PubChem CID107192685
Molecular FormulaC16H30O3S
Molecular Weight302.48 g/mol
Exact Mass302.19
IUPAC Name(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCC1(C)CCCCC1C(O)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H30O3S/c1-16(2)10-5-4-9-14(16)15(17)12-7-6-8-13(11-12)20(3,18)19/h12-15,17H,4-11H2,1-3H3
InChIKeyHLVPLHOXOFSOHP-UHFFFAOYSA-N
XLogP3.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080
cyclobutyl-(2,2-dimethylcyclopentyl)methanol
CID 107192993
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106830383
(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol
CID 107192269
N-[(1-methylcyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]ethanamine
CID 106830384
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105204403
(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192398
(4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 116754107
(2-methyloxan-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 80683428
1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 104610833
1-(3-methylsulfonylcyclohexyl)pentane-1,2-diol
CID 103455003
(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid
CID 106702897

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol (CID 107192685) is (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol is CC1(C)CCCCC1C(O)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is HLVPLHOXOFSOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3S/c1-16(2)10-5-4-9-14(16)15(17)12-7-6-8-13(11-12)20(3,18)19/h12-15,17H,4-11H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol?
(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 302.48 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 107192685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).