4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol

C12H26O4S — CID 87496667

IUPAC4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol
SMILESCCC(CCCO)S(=O)(=O)C(CC)CCCO
InChIInChI=1S/C12H26O4S/c1-3-11(7-5-9-13)17(15,16)12(4-2)8-6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyOYWDNHLEFUJHIZ-UHFFFAOYSA-N
MW266.40 g/mol
LogP1.50
Rot. Bonds10

About 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol

4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol (PubChem CID 87496667) has the molecular formula C12H26O4S and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol.

Molecular Properties

Compound Name4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol
PubChem CID87496667
Molecular FormulaC12H26O4S
Molecular Weight266.40 g/mol
Exact Mass266.16
IUPAC Name4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol
SMILESCCC(CCCO)S(=O)(=O)C(CC)CCCO
InChIInChI=1S/C12H26O4S/c1-3-11(7-5-9-13)17(15,16)12(4-2)8-6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyOYWDNHLEFUJHIZ-UHFFFAOYSA-N
XLogP1.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

nonane-5-sulfonic acid
CID 22325204
(3R)-3-ethylhexane-1,6-diol
CID 118889856
sodium tetradecane-3-sulfonate
CID 23675778
ethanesulfonic acid;propane-1,3-diol
CID 87127973
heptatriacontane-12-sulfonic acid
CID 175166890
octadecane-9-sulfonic acid
CID 19700233
tritetracontane-14-sulfonic acid
CID 151699628
docosane-11-sulfonic acid
CID 175254897
pentacosane-11-sulfonic acid
CID 175161777
3,6-diethylnonane-1,9-diol
CID 19787583
2-methylsulfonylbutan-1-ol
CID 117037681
dodecane-5-sulfonic acid
CID 87491021

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol?
The IUPAC name of 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol (CID 87496667) is 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol.
What is the SMILES notation for 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol?
The canonical SMILES for 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol is CCC(CCCO)S(=O)(=O)C(CC)CCCO.
What is the InChIKey of 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol?
The InChIKey is OYWDNHLEFUJHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S/c1-3-11(7-5-9-13)17(15,16)12(4-2)8-6-10-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol?
4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol has a molecular weight of 266.40 g/mol, XLogP of 1.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol is sourced from PubChem (CID 87496667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).