3-methyl-1-sulfanylnonan-3-ol

C10H22OS — CID 142712851

IUPAC3-methyl-1-sulfanylnonan-3-ol
SMILESCCCCCCC(C)(O)CCS
InChIInChI=1S/C10H22OS/c1-3-4-5-6-7-10(2,11)8-9-12/h11-12H,3-9H2,1-2H3
InChIKeyNMOVIHIZFZKFHP-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.03
Rot. Bonds7

About 3-methyl-1-sulfanylnonan-3-ol

3-methyl-1-sulfanylnonan-3-ol (PubChem CID 142712851) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 3-methyl-1-sulfanylnonan-3-ol.

Molecular Properties

Compound Name3-methyl-1-sulfanylnonan-3-ol
PubChem CID142712851
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name3-methyl-1-sulfanylnonan-3-ol
SMILESCCCCCCC(C)(O)CCS
InChIInChI=1S/C10H22OS/c1-3-4-5-6-7-10(2,11)8-9-12/h11-12H,3-9H2,1-2H3
InChIKeyNMOVIHIZFZKFHP-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.03
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

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4,7-dimethylpentadecane-4,7-diol
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CID 90439837
azane;3-methylhenicosan-3-ol;hydrochloride
CID 173459542
2,3,3-trimethylnonan-2-ol
CID 149434403
7-hydroxy-7-methyldodecanoic acid
CID 21420590
2-methyldodecan-2-ol
CID 547702
(10S,13S)-10,13-dimethyldocos-11-yne-10,13-diol
CID 92854568
2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
3,3-dimethyloctane-2,2-diol
CID 175169414
2-amino-3,3-dimethylicosan-2-ol
CID 18539595
2-amino-3,3-dimethyltridecan-2-ol
CID 175034140

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-sulfanylnonan-3-ol?
The IUPAC name of 3-methyl-1-sulfanylnonan-3-ol (CID 142712851) is 3-methyl-1-sulfanylnonan-3-ol.
What is the SMILES notation for 3-methyl-1-sulfanylnonan-3-ol?
The canonical SMILES for 3-methyl-1-sulfanylnonan-3-ol is CCCCCCC(C)(O)CCS.
What is the InChIKey of 3-methyl-1-sulfanylnonan-3-ol?
The InChIKey is NMOVIHIZFZKFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-3-4-5-6-7-10(2,11)8-9-12/h11-12H,3-9H2,1-2H3.
What are the key properties of 3-methyl-1-sulfanylnonan-3-ol?
3-methyl-1-sulfanylnonan-3-ol has a molecular weight of 190.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-sulfanylnonan-3-ol is sourced from PubChem (CID 142712851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).