2-sulfanylnonan-5-ol

C9H20OS — CID 150190402

IUPAC2-sulfanylnonan-5-ol
SMILESCCCCC(O)CCC(C)S
InChIInChI=1S/C9H20OS/c1-3-4-5-9(10)7-6-8(2)11/h8-11H,3-7H2,1-2H3
InChIKeyFNHUGUPNHZVEKF-UHFFFAOYSA-N
MW176.33 g/mol
LogP2.64
Rot. Bonds6

About 2-sulfanylnonan-5-ol

2-sulfanylnonan-5-ol (PubChem CID 150190402) has the molecular formula C9H20OS and a molecular weight of 176.33 g/mol. Its IUPAC name is 2-sulfanylnonan-5-ol.

Molecular Properties

Compound Name2-sulfanylnonan-5-ol
PubChem CID150190402
Molecular FormulaC9H20OS
Molecular Weight176.33 g/mol
Exact Mass176.12
IUPAC Name2-sulfanylnonan-5-ol
SMILESCCCCC(O)CCC(C)S
InChIInChI=1S/C9H20OS/c1-3-4-5-9(10)7-6-8(2)11/h8-11H,3-7H2,1-2H3
InChIKeyFNHUGUPNHZVEKF-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 172776718
CID 172776718
2-aminononan-5-ol
CID 123577589
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,11-diol
CID 170722582
icosane-5,10-diol
CID 170722579
octadecane-8,11-diol
CID 101412726
octadecane-2,14-diol
CID 170722506
octadecane-5,9,10,14-tetrol
CID 123917796
2-methylundecan-5-ol
CID 544080
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylnonan-5-ol?
The IUPAC name of 2-sulfanylnonan-5-ol (CID 150190402) is 2-sulfanylnonan-5-ol.
What is the SMILES notation for 2-sulfanylnonan-5-ol?
The canonical SMILES for 2-sulfanylnonan-5-ol is CCCCC(O)CCC(C)S.
What is the InChIKey of 2-sulfanylnonan-5-ol?
The InChIKey is FNHUGUPNHZVEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-3-4-5-9(10)7-6-8(2)11/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-sulfanylnonan-5-ol?
2-sulfanylnonan-5-ol has a molecular weight of 176.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylnonan-5-ol is sourced from PubChem (CID 150190402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).