1-methylsulfonyltetradecan-2-ol

C15H32O3S — CID 3020345

IUPAC1-methylsulfonyltetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CS(C)(=O)=O
InChIInChI=1S/C15H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15(16)14-19(2,17)18/h15-16H,3-14H2,1-2H3
InChIKeyCOQFTFJCVHESIH-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.70
Rot. Bonds13

About 1-methylsulfonyltetradecan-2-ol

1-methylsulfonyltetradecan-2-ol (PubChem CID 3020345) has the molecular formula C15H32O3S and a molecular weight of 292.49 g/mol. Its IUPAC name is 1-methylsulfonyltetradecan-2-ol.

Molecular Properties

Compound Name1-methylsulfonyltetradecan-2-ol
PubChem CID3020345
Molecular FormulaC15H32O3S
Molecular Weight292.49 g/mol
Exact Mass292.21
IUPAC Name1-methylsulfonyltetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CS(C)(=O)=O
InChIInChI=1S/C15H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15(16)14-19(2,17)18/h15-16H,3-14H2,1-2H3
InChIKeyCOQFTFJCVHESIH-UHFFFAOYSA-N
XLogP3.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylsulfonyltetradecan-2-ol?
The IUPAC name of 1-methylsulfonyltetradecan-2-ol (CID 3020345) is 1-methylsulfonyltetradecan-2-ol.
What is the SMILES notation for 1-methylsulfonyltetradecan-2-ol?
The canonical SMILES for 1-methylsulfonyltetradecan-2-ol is CCCCCCCCCCCCC(O)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyltetradecan-2-ol?
The InChIKey is COQFTFJCVHESIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15(16)14-19(2,17)18/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-methylsulfonyltetradecan-2-ol?
1-methylsulfonyltetradecan-2-ol has a molecular weight of 292.49 g/mol, XLogP of 3.70, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyltetradecan-2-ol is sourced from PubChem (CID 3020345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).