8-methyl-2-sulfanylnonane-1,2-diol

C10H22O2S — CID 141006655

IUPAC8-methyl-2-sulfanylnonane-1,2-diol
SMILESCC(C)CCCCCC(O)(S)CO
InChIInChI=1S/C10H22O2S/c1-9(2)6-4-3-5-7-10(12,13)8-11/h9,11-13H,3-8H2,1-2H3
InChIKeyOCGGBIONSSWXRS-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.20
Rot. Bonds7

About 8-methyl-2-sulfanylnonane-1,2-diol

8-methyl-2-sulfanylnonane-1,2-diol (PubChem CID 141006655) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 8-methyl-2-sulfanylnonane-1,2-diol.

Molecular Properties

Compound Name8-methyl-2-sulfanylnonane-1,2-diol
PubChem CID141006655
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name8-methyl-2-sulfanylnonane-1,2-diol
SMILESCC(C)CCCCCC(O)(S)CO
InChIInChI=1S/C10H22O2S/c1-9(2)6-4-3-5-7-10(12,13)8-11/h9,11-13H,3-8H2,1-2H3
InChIKeyOCGGBIONSSWXRS-UHFFFAOYSA-N
XLogP2.20
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(hydroxymethyl)-11-methyl-3-(8-methylnonyl)dodecane-1,3-diol;phosphorous acid
CID 159512974
6-methyl-2-(2-methylpropyl)heptane-1,2-diol
CID 171442388
10-methyl-4-propylundecan-4-ol
CID 156689332
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
alumane;6-methylheptan-1-ol
CID 174615736
16-methylheptadecan-1-ol;titanium
CID 151630620
CID 172760633
CID 172760633
2-(3-methylbutyl)-2-pentylpropane-1,3-diol
CID 165147923
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-sulfanylnonane-1,2-diol?
The IUPAC name of 8-methyl-2-sulfanylnonane-1,2-diol (CID 141006655) is 8-methyl-2-sulfanylnonane-1,2-diol.
What is the SMILES notation for 8-methyl-2-sulfanylnonane-1,2-diol?
The canonical SMILES for 8-methyl-2-sulfanylnonane-1,2-diol is CC(C)CCCCCC(O)(S)CO.
What is the InChIKey of 8-methyl-2-sulfanylnonane-1,2-diol?
The InChIKey is OCGGBIONSSWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-9(2)6-4-3-5-7-10(12,13)8-11/h9,11-13H,3-8H2,1-2H3.
What are the key properties of 8-methyl-2-sulfanylnonane-1,2-diol?
8-methyl-2-sulfanylnonane-1,2-diol has a molecular weight of 206.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-sulfanylnonane-1,2-diol is sourced from PubChem (CID 141006655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).