1-methylsulfinyltridecan-3-ol

C14H30O2S — CID 22142099

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

About 1-methylsulfinyltridecan-3-ol

1-methylsulfinyltridecan-3-ol (PubChem CID 22142099) has the molecular formula C14H30O2S and a molecular weight of 262.46 g/mol. Its IUPAC name is 1-methylsulfinyltridecan-3-ol.

Molecular Properties

Compound Name1-methylsulfinyltridecan-3-ol
PubChem CID22142099
Molecular FormulaC14H30O2S
Molecular Weight262.46 g/mol
Exact Mass262.20
IUPAC Name1-methylsulfinyltridecan-3-ol
SMILESCCCCCCCCCCC(O)CCS(C)=O
InChIInChI=1S/C14H30O2S/c1-3-4-5-6-7-8-9-10-11-14(15)12-13-17(2)16/h14-15H,3-13H2,1-2H3
InChIKeyHYTOZULGKGUFII-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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Related Compounds

nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyltridecan-3-ol?
The IUPAC name of 1-methylsulfinyltridecan-3-ol (CID 22142099) is 1-methylsulfinyltridecan-3-ol.
What is the SMILES notation for 1-methylsulfinyltridecan-3-ol?
The canonical SMILES for 1-methylsulfinyltridecan-3-ol is CCCCCCCCCCC(O)CCS(C)=O.
What is the InChIKey of 1-methylsulfinyltridecan-3-ol?
The InChIKey is HYTOZULGKGUFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2S/c1-3-4-5-6-7-8-9-10-11-14(15)12-13-17(2)16/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-methylsulfinyltridecan-3-ol?
1-methylsulfinyltridecan-3-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-3-ol is sourced from PubChem (CID 22142099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).