5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol

C13H26O3S — CID 65142693

IUPAC5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CCS(C)(=O)=O)C1
InChIInChI=1S/C13H26O3S/c1-10(2)12-6-5-11(3)9-13(12,14)7-8-17(4,15)16/h10-12,14H,5-9H2,1-4H3
InChIKeyPZJRWHBZWNEYFF-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.24
Rot. Bonds4

About 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol

5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol (PubChem CID 65142693) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol
PubChem CID65142693
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CCS(C)(=O)=O)C1
InChIInChI=1S/C13H26O3S/c1-10(2)12-6-5-11(3)9-13(12,14)7-8-17(4,15)16/h10-12,14H,5-9H2,1-4H3
InChIKeyPZJRWHBZWNEYFF-UHFFFAOYSA-N
XLogP2.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol (CID 65142693) is 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(CCS(C)(=O)=O)C1.
What is the InChIKey of 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is PZJRWHBZWNEYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-10(2)12-6-5-11(3)9-13(12,14)7-8-17(4,15)16/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol?
5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 262.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 65142693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).