tetradecylsulfinylmethanol

C15H32O2S — CID 88782233

IUPACtetradecylsulfinylmethanol
SMILESCCCCCCCCCCCCCCS(=O)CO
InChIInChI=1S/C15H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(17)15-16/h16H,2-15H2,1H3
InChIKeyPGPOKXXAZMSAOK-UHFFFAOYSA-N
MW276.49 g/mol
LogP4.39
Rot. Bonds14

About tetradecylsulfinylmethanol

tetradecylsulfinylmethanol (PubChem CID 88782233) has the molecular formula C15H32O2S and a molecular weight of 276.49 g/mol. Its IUPAC name is tetradecylsulfinylmethanol.

Molecular Properties

Compound Nametetradecylsulfinylmethanol
PubChem CID88782233
Molecular FormulaC15H32O2S
Molecular Weight276.49 g/mol
Exact Mass276.21
IUPAC Nametetradecylsulfinylmethanol
SMILESCCCCCCCCCCCCCCS(=O)CO
InChIInChI=1S/C15H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(17)15-16/h16H,2-15H2,1H3
InChIKeyPGPOKXXAZMSAOK-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 54.39
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

1-heptadecylsulfinylheptadecane
CID 54059826
3-pentylsulfinylpropan-1-ol
CID 12518269
3-dodecylsulfinylprop-1-en-2-ol
CID 88815139
1-ethylsulfinylhexane
CID 18965294
1-ethylsulfinyloctane
CID 54141160
3-dodecylsulfinylpropane-1,2-diol
CID 154087122
pentadecane-1-sulfinic acid
CID 20739365
(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol
CID 98534105
3-octylsulfinylprop-1-en-1-ol
CID 173239432
1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
1-(2-fluoroethylsulfinyl)pentane
CID 56992126

Frequently Asked Questions

What is the IUPAC name of tetradecylsulfinylmethanol?
The IUPAC name of tetradecylsulfinylmethanol (CID 88782233) is tetradecylsulfinylmethanol.
What is the SMILES notation for tetradecylsulfinylmethanol?
The canonical SMILES for tetradecylsulfinylmethanol is CCCCCCCCCCCCCCS(=O)CO.
What is the InChIKey of tetradecylsulfinylmethanol?
The InChIKey is PGPOKXXAZMSAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(17)15-16/h16H,2-15H2,1H3.
What are the key properties of tetradecylsulfinylmethanol?
tetradecylsulfinylmethanol has a molecular weight of 276.49 g/mol, XLogP of 4.39, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecylsulfinylmethanol is sourced from PubChem (CID 88782233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).