1-(2-hydroxyhexylsulfanyl)hexan-2-ol

C12H26O2S — CID 548443

IUPAC1-(2-hydroxyhexylsulfanyl)hexan-2-ol
SMILESCCCCC(O)CSCC(O)CCCC
InChIInChI=1S/C12H26O2S/c1-3-5-7-11(13)9-15-10-12(14)8-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyQFXAAOXWFQLGJV-UHFFFAOYSA-N
MW234.40 g/mol
LogP2.82
Rot. Bonds10

About 1-(2-hydroxyhexylsulfanyl)hexan-2-ol

1-(2-hydroxyhexylsulfanyl)hexan-2-ol (PubChem CID 548443) has the molecular formula C12H26O2S and a molecular weight of 234.40 g/mol. Its IUPAC name is 1-(2-hydroxyhexylsulfanyl)hexan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyhexylsulfanyl)hexan-2-ol
PubChem CID548443
Molecular FormulaC12H26O2S
Molecular Weight234.40 g/mol
Exact Mass234.17
IUPAC Name1-(2-hydroxyhexylsulfanyl)hexan-2-ol
SMILESCCCCC(O)CSCC(O)CCCC
InChIInChI=1S/C12H26O2S/c1-3-5-7-11(13)9-15-10-12(14)8-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyQFXAAOXWFQLGJV-UHFFFAOYSA-N
XLogP2.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Propan-2-ylsulfanyl)cyclohexan-1-ol
CID 60878810
Sulfide, bis(2-hydroxybutyl)
CID 548436
2-(1-Hydroxybutyl)-2-methyl-1,3-dithian
CID 12476960
1-(Butylsulfanyl)octan-2-ol
CID 138376823
S-acetyl-6-mercaptohexanol
CID 11805272
(+/-)-3-(Undecylthio)-1,2-propanediol
CID 13136538
trans-(1R,2R)-2-butylsulfanylcyclohexan-1-ol
CID 13511619
1-(Butylsulfanyl)hexan-2-ol
CID 14094711
3-(Octylthio)-1,2-propanediol
CID 14870587
1-(Octylsulfanyl)hexane-2-ol
CID 19102251
6-Propan-2-ylsulfanylhexan-1-ol
CID 54550759
1-(Propylsulfanyl)pentan-2-ol
CID 65130016

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyhexylsulfanyl)hexan-2-ol?
The IUPAC name of 1-(2-hydroxyhexylsulfanyl)hexan-2-ol (CID 548443) is 1-(2-hydroxyhexylsulfanyl)hexan-2-ol.
What is the SMILES notation for 1-(2-hydroxyhexylsulfanyl)hexan-2-ol?
The canonical SMILES for 1-(2-hydroxyhexylsulfanyl)hexan-2-ol is CCCCC(O)CSCC(O)CCCC.
What is the InChIKey of 1-(2-hydroxyhexylsulfanyl)hexan-2-ol?
The InChIKey is QFXAAOXWFQLGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S/c1-3-5-7-11(13)9-15-10-12(14)8-6-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(2-hydroxyhexylsulfanyl)hexan-2-ol?
1-(2-hydroxyhexylsulfanyl)hexan-2-ol has a molecular weight of 234.40 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyhexylsulfanyl)hexan-2-ol is sourced from PubChem (CID 548443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).