1-methylsulfinyltridecan-2-ol

C14H30O2S — CID 19855623

IUPAC1-methylsulfinyltridecan-2-ol
SMILESCCCCCCCCCCCC(O)CS(C)=O
InChIInChI=1S/C14H30O2S/c1-3-4-5-6-7-8-9-10-11-12-14(15)13-17(2)16/h14-15H,3-13H2,1-2H3
InChIKeyGFJGVCSSGGLCML-UHFFFAOYSA-N
MW262.46 g/mol
LogP3.65
Rot. Bonds12

About 1-methylsulfinyltridecan-2-ol

1-methylsulfinyltridecan-2-ol (PubChem CID 19855623) has the molecular formula C14H30O2S and a molecular weight of 262.46 g/mol. Its IUPAC name is 1-methylsulfinyltridecan-2-ol.

Molecular Properties

Compound Name1-methylsulfinyltridecan-2-ol
PubChem CID19855623
Molecular FormulaC14H30O2S
Molecular Weight262.46 g/mol
Exact Mass262.20
IUPAC Name1-methylsulfinyltridecan-2-ol
SMILESCCCCCCCCCCCC(O)CS(C)=O
InChIInChI=1S/C14H30O2S/c1-3-4-5-6-7-8-9-10-11-12-14(15)13-17(2)16/h14-15H,3-13H2,1-2H3
InChIKeyGFJGVCSSGGLCML-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyltridecan-2-ol?
The IUPAC name of 1-methylsulfinyltridecan-2-ol (CID 19855623) is 1-methylsulfinyltridecan-2-ol.
What is the SMILES notation for 1-methylsulfinyltridecan-2-ol?
The canonical SMILES for 1-methylsulfinyltridecan-2-ol is CCCCCCCCCCCC(O)CS(C)=O.
What is the InChIKey of 1-methylsulfinyltridecan-2-ol?
The InChIKey is GFJGVCSSGGLCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2S/c1-3-4-5-6-7-8-9-10-11-12-14(15)13-17(2)16/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-methylsulfinyltridecan-2-ol?
1-methylsulfinyltridecan-2-ol has a molecular weight of 262.46 g/mol, XLogP of 3.65, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyltridecan-2-ol is sourced from PubChem (CID 19855623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).