nonadecyl hydrogen sulfite

C19H40O3S — CID 57310669

IUPACnonadecyl hydrogen sulfite
SMILESCCCCCCCCCCCCCCCCCCCOS(=O)O
InChIInChI=1S/C19H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(20)21/h2-19H2,1H3,(H,20,21)
InChIKeyKEHJDDKHLGEURC-UHFFFAOYSA-N
MW348.59 g/mol
LogP6.79
Rot. Bonds19

About nonadecyl hydrogen sulfite

nonadecyl hydrogen sulfite (PubChem CID 57310669) has the molecular formula C19H40O3S and a molecular weight of 348.59 g/mol. Its IUPAC name is nonadecyl hydrogen sulfite.

Molecular Properties

Compound Namenonadecyl hydrogen sulfite
PubChem CID57310669
Molecular FormulaC19H40O3S
Molecular Weight348.59 g/mol
Exact Mass348.27
IUPAC Namenonadecyl hydrogen sulfite
SMILESCCCCCCCCCCCCCCCCCCCOS(=O)O
InChIInChI=1S/C19H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(20)21/h2-19H2,1H3,(H,20,21)
InChIKeyKEHJDDKHLGEURC-UHFFFAOYSA-N
XLogP6.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.59
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nonadecyl hydrogen sulfite?
The IUPAC name of nonadecyl hydrogen sulfite (CID 57310669) is nonadecyl hydrogen sulfite.
What is the SMILES notation for nonadecyl hydrogen sulfite?
The canonical SMILES for nonadecyl hydrogen sulfite is CCCCCCCCCCCCCCCCCCCOS(=O)O.
What is the InChIKey of nonadecyl hydrogen sulfite?
The InChIKey is KEHJDDKHLGEURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(20)21/h2-19H2,1H3,(H,20,21).
What are the key properties of nonadecyl hydrogen sulfite?
nonadecyl hydrogen sulfite has a molecular weight of 348.59 g/mol, XLogP of 6.79, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecyl hydrogen sulfite is sourced from PubChem (CID 57310669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).