2-hexyldecan-1-ol;methanesulfonic acid

C17H38O4S — CID 71335551

IUPAC2-hexyldecan-1-ol;methanesulfonic acid
SMILESCCCCCCCCC(CO)CCCCCC.CS(=O)(=O)O
InChIInChI=1S/C16H34O.CH4O3S/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2;1-5(2,3)4/h16-17H,3-15H2,1-2H3;1H3,(H,2,3,4)
InChIKeyWDVLYKXHTCSRAN-UHFFFAOYSA-N
MW338.55 g/mol
LogP4.82
Rot. Bonds13

About 2-hexyldecan-1-ol;methanesulfonic acid

2-hexyldecan-1-ol;methanesulfonic acid (PubChem CID 71335551) has the molecular formula C17H38O4S and a molecular weight of 338.55 g/mol. Its IUPAC name is 2-hexyldecan-1-ol;methanesulfonic acid.

Molecular Properties

Compound Name2-hexyldecan-1-ol;methanesulfonic acid
PubChem CID71335551
Molecular FormulaC17H38O4S
Molecular Weight338.55 g/mol
Exact Mass338.25
IUPAC Name2-hexyldecan-1-ol;methanesulfonic acid
SMILESCCCCCCCCC(CO)CCCCCC.CS(=O)(=O)O
InChIInChI=1S/C16H34O.CH4O3S/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2;1-5(2,3)4/h16-17H,3-15H2,1-2H3;1H3,(H,2,3,4)
InChIKeyWDVLYKXHTCSRAN-UHFFFAOYSA-N
XLogP4.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-Hexyldecyl mesylate
CID 14596246
3-(Methylsulfonyloxymethyl)heptadecyl methanesulfonate
CID 10388643
1-Octanesulfonic acid, 1-hydroxy-3,7-dimethyl-, sodium salt (1:1)
CID 23668756
1-Hexanol, 2-ethyl-, methanesulfonate
CID 71329451
2,6,10,14-Tetramethylpentadecanolmesylate
CID 129692138
(7s,8s)-8-Hydroxy-2-methyloctadecan-7-yl methanesulfonate
CID 129742813
1-Hydroxy-3,7-dimethyl-1-octanesulfonic acid
CID 111380
3-Cyclohexylpropan-1-ol;methanesulfonic acid
CID 71346347
1-Nonadecanol, methanesulfonate
CID 71383376
1-Heptadecanol, methanesulfonate
CID 71383377
Methanesulfonic acid--2-cyclohexylethan-1-ol (1/1)
CID 71401892
Methanesulfonic acid--2-cyclopentylethan-1-ol (1/1)
CID 71402082

Frequently Asked Questions

What is the IUPAC name of 2-hexyldecan-1-ol;methanesulfonic acid?
The IUPAC name of 2-hexyldecan-1-ol;methanesulfonic acid (CID 71335551) is 2-hexyldecan-1-ol;methanesulfonic acid.
What is the SMILES notation for 2-hexyldecan-1-ol;methanesulfonic acid?
The canonical SMILES for 2-hexyldecan-1-ol;methanesulfonic acid is CCCCCCCCC(CO)CCCCCC.CS(=O)(=O)O.
What is the InChIKey of 2-hexyldecan-1-ol;methanesulfonic acid?
The InChIKey is WDVLYKXHTCSRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.CH4O3S/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2;1-5(2,3)4/h16-17H,3-15H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 2-hexyldecan-1-ol;methanesulfonic acid?
2-hexyldecan-1-ol;methanesulfonic acid has a molecular weight of 338.55 g/mol, XLogP of 4.82, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyldecan-1-ol;methanesulfonic acid is sourced from PubChem (CID 71335551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).