9-(9-hydroxynonylsulfanyl)nonan-1-ol

C18H38O2S — CID 155127930

IUPAC9-(9-hydroxynonylsulfanyl)nonan-1-ol
SMILESOCCCCCCCCCSCCCCCCCCCO
InChIInChI=1S/C18H38O2S/c19-15-11-7-3-1-5-9-13-17-21-18-14-10-6-2-4-8-12-16-20/h19-20H,1-18H2
InChIKeyFZBYGFZMABFXTK-UHFFFAOYSA-N
MW318.57 g/mol
LogP5.17
Rot. Bonds18

About 9-(9-hydroxynonylsulfanyl)nonan-1-ol

9-(9-hydroxynonylsulfanyl)nonan-1-ol (PubChem CID 155127930) has the molecular formula C18H38O2S and a molecular weight of 318.57 g/mol. Its IUPAC name is 9-(9-hydroxynonylsulfanyl)nonan-1-ol.

Molecular Properties

Compound Name9-(9-hydroxynonylsulfanyl)nonan-1-ol
PubChem CID155127930
Molecular FormulaC18H38O2S
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name9-(9-hydroxynonylsulfanyl)nonan-1-ol
SMILESOCCCCCCCCCSCCCCCCCCCO
InChIInChI=1S/C18H38O2S/c19-15-11-7-3-1-5-9-13-17-21-18-14-10-6-2-4-8-12-16-20/h19-20H,1-18H2
InChIKeyFZBYGFZMABFXTK-UHFFFAOYSA-N
XLogP5.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.57
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-pentylsulfanyloctan-1-ol
CID 86658436
5-(6-bromohexylsulfanyl)pentan-1-ol
CID 142704924
5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol
CID 101478203
5-(aminomethylsulfanyl)pentan-1-ol
CID 163537686
8-(6-hydroxyhexylsulfanyl)octanoic acid
CID 122401769
6-(5-hydroxypentylsulfanyl)hexanoic acid
CID 57108530
6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
CID 103736336
4-hex-5-enylsulfanylbutan-1-ol
CID 132567975
10-(pentylsulfanylmethylsulfanyl)decan-1-ol
CID 170383574
pentadecane-1,15-diol
CID 518994
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
hexane-1,6-diol;octane-1,8-diol
CID 21202869

Frequently Asked Questions

What is the IUPAC name of 9-(9-hydroxynonylsulfanyl)nonan-1-ol?
The IUPAC name of 9-(9-hydroxynonylsulfanyl)nonan-1-ol (CID 155127930) is 9-(9-hydroxynonylsulfanyl)nonan-1-ol.
What is the SMILES notation for 9-(9-hydroxynonylsulfanyl)nonan-1-ol?
The canonical SMILES for 9-(9-hydroxynonylsulfanyl)nonan-1-ol is OCCCCCCCCCSCCCCCCCCCO.
What is the InChIKey of 9-(9-hydroxynonylsulfanyl)nonan-1-ol?
The InChIKey is FZBYGFZMABFXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2S/c19-15-11-7-3-1-5-9-13-17-21-18-14-10-6-2-4-8-12-16-20/h19-20H,1-18H2.
What are the key properties of 9-(9-hydroxynonylsulfanyl)nonan-1-ol?
9-(9-hydroxynonylsulfanyl)nonan-1-ol has a molecular weight of 318.57 g/mol, XLogP of 5.17, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-hydroxynonylsulfanyl)nonan-1-ol is sourced from PubChem (CID 155127930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).