heptadecan-1-ol;methanesulfonic acid

C18H40O4S — CID 71383377

IUPACheptadecan-1-ol;methanesulfonic acid
SMILESCCCCCCCCCCCCCCCCCO.CS(=O)(=O)O
InChIInChI=1S/C17H36O.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-5(2,3)4/h18H,2-17H2,1H3;1H3,(H,2,3,4)
InChIKeyQDKHUFMXSXIVOE-UHFFFAOYSA-N
MW352.58 g/mol
LogP5.35
Rot. Bonds15

About heptadecan-1-ol;methanesulfonic acid

heptadecan-1-ol;methanesulfonic acid (PubChem CID 71383377) has the molecular formula C18H40O4S and a molecular weight of 352.58 g/mol. Its IUPAC name is heptadecan-1-ol;methanesulfonic acid.

Molecular Properties

Compound Nameheptadecan-1-ol;methanesulfonic acid
PubChem CID71383377
Molecular FormulaC18H40O4S
Molecular Weight352.58 g/mol
Exact Mass352.26
IUPAC Nameheptadecan-1-ol;methanesulfonic acid
SMILESCCCCCCCCCCCCCCCCCO.CS(=O)(=O)O
InChIInChI=1S/C17H36O.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-5(2,3)4/h18H,2-17H2,1H3;1H3,(H,2,3,4)
InChIKeyQDKHUFMXSXIVOE-UHFFFAOYSA-N
XLogP5.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.58
LogP ≤ 55.35
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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Frequently Asked Questions

What is the IUPAC name of heptadecan-1-ol;methanesulfonic acid?
The IUPAC name of heptadecan-1-ol;methanesulfonic acid (CID 71383377) is heptadecan-1-ol;methanesulfonic acid.
What is the SMILES notation for heptadecan-1-ol;methanesulfonic acid?
The canonical SMILES for heptadecan-1-ol;methanesulfonic acid is CCCCCCCCCCCCCCCCCO.CS(=O)(=O)O.
What is the InChIKey of heptadecan-1-ol;methanesulfonic acid?
The InChIKey is QDKHUFMXSXIVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-5(2,3)4/h18H,2-17H2,1H3;1H3,(H,2,3,4).
What are the key properties of heptadecan-1-ol;methanesulfonic acid?
heptadecan-1-ol;methanesulfonic acid has a molecular weight of 352.58 g/mol, XLogP of 5.35, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-1-ol;methanesulfonic acid is sourced from PubChem (CID 71383377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).