9-sulfanylnonan-3-ol

C9H20OS — CID 91250076

IUPAC9-sulfanylnonan-3-ol
SMILESCCC(O)CCCCCCS
InChIInChI=1S/C9H20OS/c1-2-9(10)7-5-3-4-6-8-11/h9-11H,2-8H2,1H3
InChIKeyVBJGKSMWCWGPQQ-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.64
Rot. Bonds7

About 9-sulfanylnonan-3-ol

9-sulfanylnonan-3-ol (PubChem CID 91250076) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is 9-sulfanylnonan-3-ol.

Molecular Properties

Compound Name9-sulfanylnonan-3-ol
PubChem CID91250076
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name9-sulfanylnonan-3-ol
SMILESCCC(O)CCCCCCS
InChIInChI=1S/C9H20OS/c1-2-9(10)7-5-3-4-6-8-11/h9-11H,2-8H2,1H3
InChIKeyVBJGKSMWCWGPQQ-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

nonane-3,7-diol
CID 22141483
icosan-3-ol
CID 14940768
icosane-3,10-diol
CID 141217833
decane-1,8-diol
CID 160857478
undecane-1,9-diol
CID 56629636
icosane-1,18-diol
CID 87114916
(3R)-10-methylundecan-3-ol
CID 164999222
octane-1,6-diol
CID 159745348
decane-1,2,8-triol
CID 88722169
dodecan-3-ol;propane
CID 159624658
decane-3,7-diol;decan-4-ol;nonan-4-ol
CID 159957701
12-bromododecan-3-ol
CID 10706786

Frequently Asked Questions

What is the IUPAC name of 9-sulfanylnonan-3-ol?
The IUPAC name of 9-sulfanylnonan-3-ol (CID 91250076) is 9-sulfanylnonan-3-ol.
What is the SMILES notation for 9-sulfanylnonan-3-ol?
The canonical SMILES for 9-sulfanylnonan-3-ol is CCC(O)CCCCCCS.
What is the InChIKey of 9-sulfanylnonan-3-ol?
The InChIKey is VBJGKSMWCWGPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-2-9(10)7-5-3-4-6-8-11/h9-11H,2-8H2,1H3.
What are the key properties of 9-sulfanylnonan-3-ol?
9-sulfanylnonan-3-ol has a molecular weight of 176.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-sulfanylnonan-3-ol is sourced from PubChem (CID 91250076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).