methanesulfonic acid;nonadecan-1-ol

C20H44O4S — CID 71383376

IUPACmethanesulfonic acid;nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCO.CS(=O)(=O)O
InChIInChI=1S/C19H40O.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20;1-5(2,3)4/h20H,2-19H2,1H3;1H3,(H,2,3,4)
InChIKeySRJZIJVXURZWBP-UHFFFAOYSA-N
MW380.64 g/mol
LogP6.13
Rot. Bonds17

About methanesulfonic acid;nonadecan-1-ol

methanesulfonic acid;nonadecan-1-ol (PubChem CID 71383376) has the molecular formula C20H44O4S and a molecular weight of 380.64 g/mol. Its IUPAC name is methanesulfonic acid;nonadecan-1-ol.

Molecular Properties

Compound Namemethanesulfonic acid;nonadecan-1-ol
PubChem CID71383376
Molecular FormulaC20H44O4S
Molecular Weight380.64 g/mol
Exact Mass380.30
IUPAC Namemethanesulfonic acid;nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCO.CS(=O)(=O)O
InChIInChI=1S/C19H40O.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20;1-5(2,3)4/h20H,2-19H2,1H3;1H3,(H,2,3,4)
InChIKeySRJZIJVXURZWBP-UHFFFAOYSA-N
XLogP6.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.64
LogP ≤ 56.13
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 methanesulfonic acid;nonadecan-1-ol?
The IUPAC name of methanesulfonic acid;nonadecan-1-ol (CID 71383376) is methanesulfonic acid;nonadecan-1-ol.
What is the SMILES notation for methanesulfonic acid;nonadecan-1-ol?
The canonical SMILES for methanesulfonic acid;nonadecan-1-ol is CCCCCCCCCCCCCCCCCCCO.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;nonadecan-1-ol?
The InChIKey is SRJZIJVXURZWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20;1-5(2,3)4/h20H,2-19H2,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;nonadecan-1-ol?
methanesulfonic acid;nonadecan-1-ol has a molecular weight of 380.64 g/mol, XLogP of 6.13, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;nonadecan-1-ol is sourced from PubChem (CID 71383376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).