1-methylsulfinyldodecan-2-ol

C13H28O2S — CID 19907004

IUPAC1-methylsulfinyldodecan-2-ol
SMILESCCCCCCCCCCC(O)CS(C)=O
InChIInChI=1S/C13H28O2S/c1-3-4-5-6-7-8-9-10-11-13(14)12-16(2)15/h13-14H,3-12H2,1-2H3
InChIKeyCFJOZYXEPAHNRL-UHFFFAOYSA-N
MW248.43 g/mol
LogP3.26
Rot. Bonds11

About 1-methylsulfinyldodecan-2-ol

1-methylsulfinyldodecan-2-ol (PubChem CID 19907004) has the molecular formula C13H28O2S and a molecular weight of 248.43 g/mol. Its IUPAC name is 1-methylsulfinyldodecan-2-ol.

Molecular Properties

Compound Name1-methylsulfinyldodecan-2-ol
PubChem CID19907004
Molecular FormulaC13H28O2S
Molecular Weight248.43 g/mol
Exact Mass248.18
IUPAC Name1-methylsulfinyldodecan-2-ol
SMILESCCCCCCCCCCC(O)CS(C)=O
InChIInChI=1S/C13H28O2S/c1-3-4-5-6-7-8-9-10-11-13(14)12-16(2)15/h13-14H,3-12H2,1-2H3
InChIKeyCFJOZYXEPAHNRL-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.43
LogP ≤ 53.26
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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyldodecan-2-ol?
The IUPAC name of 1-methylsulfinyldodecan-2-ol (CID 19907004) is 1-methylsulfinyldodecan-2-ol.
What is the SMILES notation for 1-methylsulfinyldodecan-2-ol?
The canonical SMILES for 1-methylsulfinyldodecan-2-ol is CCCCCCCCCCC(O)CS(C)=O.
What is the InChIKey of 1-methylsulfinyldodecan-2-ol?
The InChIKey is CFJOZYXEPAHNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2S/c1-3-4-5-6-7-8-9-10-11-13(14)12-16(2)15/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-methylsulfinyldodecan-2-ol?
1-methylsulfinyldodecan-2-ol has a molecular weight of 248.43 g/mol, XLogP of 3.26, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyldodecan-2-ol is sourced from PubChem (CID 19907004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).