1-tert-butylsulfinylhexan-2-ol

C10H22O2S — CID 545401

IUPAC1-tert-butylsulfinylhexan-2-ol
SMILESCCCCC(O)CS(=O)C(C)(C)C
InChIInChI=1S/C10H22O2S/c1-5-6-7-9(11)8-13(12)10(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyWFQSDFNJKIHPLZ-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.08
Rot. Bonds5

About 1-tert-butylsulfinylhexan-2-ol

1-tert-butylsulfinylhexan-2-ol (PubChem CID 545401) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-tert-butylsulfinylhexan-2-ol.

Molecular Properties

Compound Name1-tert-butylsulfinylhexan-2-ol
PubChem CID545401
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-tert-butylsulfinylhexan-2-ol
SMILESCCCCC(O)CS(=O)C(C)(C)C
InChIInChI=1S/C10H22O2S/c1-5-6-7-9(11)8-13(12)10(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyWFQSDFNJKIHPLZ-UHFFFAOYSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Octylsulfinyl)butan-1-ol
CID 5302359
2-Hexanol, 1,1'-thiobis-
CID 548443
1-(Butylsulfanyl)hexan-2-ol
CID 14094711
(3-Hydroxy)-butylmethylsulfone
CID 54071789
1-(Ethylsulfanyl)hexan-2-ol
CID 65131215
1-(Butylsulfonyl)pentan-5-ol
CID 42648215
2-Hexanol, 1-tert-butylthio-
CID 545336
2-Pentanol, 1-t-butylthio-
CID 546590
1-Propylthiohexan-2-ol
CID 65130132
Octylsulfinyl butanol
CID 129681179
3,7-Dimethyl-5-thianonan-2,8-diol-5-oxide
CID 129773576
1-(tert-Butylsulfinyl)-2-propanol
CID 545153

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfinylhexan-2-ol?
The IUPAC name of 1-tert-butylsulfinylhexan-2-ol (CID 545401) is 1-tert-butylsulfinylhexan-2-ol.
What is the SMILES notation for 1-tert-butylsulfinylhexan-2-ol?
The canonical SMILES for 1-tert-butylsulfinylhexan-2-ol is CCCCC(O)CS(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfinylhexan-2-ol?
The InChIKey is WFQSDFNJKIHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-5-6-7-9(11)8-13(12)10(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-tert-butylsulfinylhexan-2-ol?
1-tert-butylsulfinylhexan-2-ol has a molecular weight of 206.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfinylhexan-2-ol is sourced from PubChem (CID 545401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).