2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol

C13H26O3S — CID 70093348

IUPAC2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol
SMILESCCCCS(=O)(=O)C(C)(C)C1CCCCC1O
InChIInChI=1S/C13H26O3S/c1-4-5-10-17(15,16)13(2,3)11-8-6-7-9-12(11)14/h11-12,14H,4-10H2,1-3H3
InChIKeyUPJJXDKQSYXGOI-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.53
Rot. Bonds5

About 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol

2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol (PubChem CID 70093348) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol
PubChem CID70093348
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol
SMILESCCCCS(=O)(=O)C(C)(C)C1CCCCC1O
InChIInChI=1S/C13H26O3S/c1-4-5-10-17(15,16)13(2,3)11-8-6-7-9-12(11)14/h11-12,14H,4-10H2,1-3H3
InChIKeyUPJJXDKQSYXGOI-UHFFFAOYSA-N
XLogP2.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol (CID 70093348) is 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol is CCCCS(=O)(=O)C(C)(C)C1CCCCC1O.
What is the InChIKey of 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol?
The InChIKey is UPJJXDKQSYXGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-4-5-10-17(15,16)13(2,3)11-8-6-7-9-12(11)14/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol?
2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol has a molecular weight of 262.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylsulfonylpropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 70093348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).