(4-methyl-4-methylsulfonylcyclohexyl)methanol

C9H18O3S — CID 21048976

IUPAC(4-methyl-4-methylsulfonylcyclohexyl)methanol
SMILESCC1(S(C)(=O)=O)CCC(CO)CC1
InChIInChI=1S/C9H18O3S/c1-9(13(2,11)12)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3
InChIKeyADWKKRBBLMEBSQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.97
Rot. Bonds2

About (4-methyl-4-methylsulfonylcyclohexyl)methanol

(4-methyl-4-methylsulfonylcyclohexyl)methanol (PubChem CID 21048976) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is (4-methyl-4-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-methyl-4-methylsulfonylcyclohexyl)methanol
PubChem CID21048976
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(4-methyl-4-methylsulfonylcyclohexyl)methanol
SMILESCC1(S(C)(=O)=O)CCC(CO)CC1
InChIInChI=1S/C9H18O3S/c1-9(13(2,11)12)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3
InChIKeyADWKKRBBLMEBSQ-UHFFFAOYSA-N
XLogP0.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (4-methyl-4-methylsulfonylcyclohexyl)methanol (CID 21048976) is (4-methyl-4-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (4-methyl-4-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (4-methyl-4-methylsulfonylcyclohexyl)methanol is CC1(S(C)(=O)=O)CCC(CO)CC1.
What is the InChIKey of (4-methyl-4-methylsulfonylcyclohexyl)methanol?
The InChIKey is ADWKKRBBLMEBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-9(13(2,11)12)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3.
What are the key properties of (4-methyl-4-methylsulfonylcyclohexyl)methanol?
(4-methyl-4-methylsulfonylcyclohexyl)methanol has a molecular weight of 206.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 21048976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).