2-methyl-2-methylsulfonyldodecan-3-ol

C14H30O3S — CID 115782848

IUPAC2-methyl-2-methylsulfonyldodecan-3-ol
SMILESCCCCCCCCCC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H30O3S/c1-5-6-7-8-9-10-11-12-13(15)14(2,3)18(4,16)17/h13,15H,5-12H2,1-4H3
InChIKeyGZWHLUITANLFNQ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.31
Rot. Bonds10

About 2-methyl-2-methylsulfonyldodecan-3-ol

2-methyl-2-methylsulfonyldodecan-3-ol (PubChem CID 115782848) has the molecular formula C14H30O3S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyldodecan-3-ol.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyldodecan-3-ol
PubChem CID115782848
Molecular FormulaC14H30O3S
Molecular Weight278.46 g/mol
Exact Mass278.19
IUPAC Name2-methyl-2-methylsulfonyldodecan-3-ol
SMILESCCCCCCCCCC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H30O3S/c1-5-6-7-8-9-10-11-12-13(15)14(2,3)18(4,16)17/h13,15H,5-12H2,1-4H3
InChIKeyGZWHLUITANLFNQ-UHFFFAOYSA-N
XLogP3.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.31
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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Related Compounds

2-methyl-2-methylsulfonylheptan-3-ol
CID 115783263
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
(2S)-octadecan-2-ol
CID 25022019
heptane;heptan-2-ol
CID 157400640
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
henicosan-2-ol
CID 14151023
3-hydroxy-2,2-dimethylnonanenitrile
CID 15156105
(3S)-3-hydroxy-2,2-dimethyldecanoic acid
CID 11413287
3-methyldodecane-3,4-diol
CID 103448703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyldodecan-3-ol?
The IUPAC name of 2-methyl-2-methylsulfonyldodecan-3-ol (CID 115782848) is 2-methyl-2-methylsulfonyldodecan-3-ol.
What is the SMILES notation for 2-methyl-2-methylsulfonyldodecan-3-ol?
The canonical SMILES for 2-methyl-2-methylsulfonyldodecan-3-ol is CCCCCCCCCC(O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyldodecan-3-ol?
The InChIKey is GZWHLUITANLFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3S/c1-5-6-7-8-9-10-11-12-13(15)14(2,3)18(4,16)17/h13,15H,5-12H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfonyldodecan-3-ol?
2-methyl-2-methylsulfonyldodecan-3-ol has a molecular weight of 278.46 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyldodecan-3-ol is sourced from PubChem (CID 115782848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).