7-(7-hydroxyheptylsulfonyl)heptan-1-ol

C14H30O4S — CID 151404373

IUPAC7-(7-hydroxyheptylsulfonyl)heptan-1-ol
SMILESO=S(=O)(CCCCCCCO)CCCCCCCO
InChIInChI=1S/C14H30O4S/c15-11-7-3-1-5-9-13-19(17,18)14-10-6-2-4-8-12-16/h15-16H,1-14H2
InChIKeyOXEJBWPVDQNDJU-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.29
Rot. Bonds14

About 7-(7-hydroxyheptylsulfonyl)heptan-1-ol

7-(7-hydroxyheptylsulfonyl)heptan-1-ol (PubChem CID 151404373) has the molecular formula C14H30O4S and a molecular weight of 294.46 g/mol. Its IUPAC name is 7-(7-hydroxyheptylsulfonyl)heptan-1-ol.

Molecular Properties

Compound Name7-(7-hydroxyheptylsulfonyl)heptan-1-ol
PubChem CID151404373
Molecular FormulaC14H30O4S
Molecular Weight294.46 g/mol
Exact Mass294.19
IUPAC Name7-(7-hydroxyheptylsulfonyl)heptan-1-ol
SMILESO=S(=O)(CCCCCCCO)CCCCCCCO
InChIInChI=1S/C14H30O4S/c15-11-7-3-1-5-9-13-19(17,18)14-10-6-2-4-8-12-16/h15-16H,1-14H2
InChIKeyOXEJBWPVDQNDJU-UHFFFAOYSA-N
XLogP2.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
5-ethylsulfonylpentan-1-ol
CID 62353355
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
4-butylsulfonylbutan-1-ol
CID 12943305
3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
sodium 16-hydroxyhexadecane-1-sulfonate
CID 87381218
sodium 12-hydroxydodecane-1-sulfonate
CID 87381250
4-hydroxybutane-1-sulfonamide
CID 21436386
heptane-1,7-diol;sulfamic acid
CID 174999895

Frequently Asked Questions

What is the IUPAC name of 7-(7-hydroxyheptylsulfonyl)heptan-1-ol?
The IUPAC name of 7-(7-hydroxyheptylsulfonyl)heptan-1-ol (CID 151404373) is 7-(7-hydroxyheptylsulfonyl)heptan-1-ol.
What is the SMILES notation for 7-(7-hydroxyheptylsulfonyl)heptan-1-ol?
The canonical SMILES for 7-(7-hydroxyheptylsulfonyl)heptan-1-ol is O=S(=O)(CCCCCCCO)CCCCCCCO.
What is the InChIKey of 7-(7-hydroxyheptylsulfonyl)heptan-1-ol?
The InChIKey is OXEJBWPVDQNDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4S/c15-11-7-3-1-5-9-13-19(17,18)14-10-6-2-4-8-12-16/h15-16H,1-14H2.
What are the key properties of 7-(7-hydroxyheptylsulfonyl)heptan-1-ol?
7-(7-hydroxyheptylsulfonyl)heptan-1-ol has a molecular weight of 294.46 g/mol, XLogP of 2.29, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-hydroxyheptylsulfonyl)heptan-1-ol is sourced from PubChem (CID 151404373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).