6-tert-butylsulfonyl-4-methylhexan-2-ol

C11H24O3S — CID 106732458

IUPAC6-tert-butylsulfonyl-4-methylhexan-2-ol
SMILESCC(O)CC(C)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24O3S/c1-9(8-10(2)12)6-7-15(13,14)11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyWYMBNHDLZRVKSV-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.00
Rot. Bonds5

About 6-tert-butylsulfonyl-4-methylhexan-2-ol

6-tert-butylsulfonyl-4-methylhexan-2-ol (PubChem CID 106732458) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-4-methylhexan-2-ol.

Molecular Properties

Compound Name6-tert-butylsulfonyl-4-methylhexan-2-ol
PubChem CID106732458
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name6-tert-butylsulfonyl-4-methylhexan-2-ol
SMILESCC(O)CC(C)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24O3S/c1-9(8-10(2)12)6-7-15(13,14)11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyWYMBNHDLZRVKSV-UHFFFAOYSA-N
XLogP2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol
CID 103710589
2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780
2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol
CID 106734343
5-tert-butylsulfonyl-1-chloro-2-methylpentane
CID 106732552
5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
CID 106727166
2-(2-tert-butylsulfonylethyl)pentanoic acid
CID 106727777
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
4-tert-butylsulfonyl-2-methoxycarbonylbutanoic acid
CID 106736002
2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid
CID 106736073
3-(2-tert-butylsulfonylethyl)-5-chloropentan-2-one
CID 106729211
5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine
CID 106727174
2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 106730297

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-4-methylhexan-2-ol?
The IUPAC name of 6-tert-butylsulfonyl-4-methylhexan-2-ol (CID 106732458) is 6-tert-butylsulfonyl-4-methylhexan-2-ol.
What is the SMILES notation for 6-tert-butylsulfonyl-4-methylhexan-2-ol?
The canonical SMILES for 6-tert-butylsulfonyl-4-methylhexan-2-ol is CC(O)CC(C)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 6-tert-butylsulfonyl-4-methylhexan-2-ol?
The InChIKey is WYMBNHDLZRVKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-9(8-10(2)12)6-7-15(13,14)11(3,4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 6-tert-butylsulfonyl-4-methylhexan-2-ol?
6-tert-butylsulfonyl-4-methylhexan-2-ol has a molecular weight of 236.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-4-methylhexan-2-ol is sourced from PubChem (CID 106732458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).