hydrogen sulfite;trimethyl(octyl)phosphanium

C11H27O3PS — CID 173242970

IUPAChydrogen sulfite;trimethyl(octyl)phosphanium
SMILESCCCCCCCC[P+](C)(C)C.O=S([O-])O
InChIInChI=1S/C11H26P.H2O3S/c1-5-6-7-8-9-10-11-12(2,3)4;1-4(2)3/h5-11H2,1-4H3;(H2,1,2,3)/q+1;/p-1
InChIKeyHKPVXNUFJVRFQB-UHFFFAOYSA-M
MW270.37 g/mol
LogP3.59
Rot. Bonds7

About hydrogen sulfite;trimethyl(octyl)phosphanium

hydrogen sulfite;trimethyl(octyl)phosphanium (PubChem CID 173242970) has the molecular formula C11H27O3PS and a molecular weight of 270.37 g/mol. Its IUPAC name is hydrogen sulfite;trimethyl(octyl)phosphanium.

Molecular Properties

Compound Namehydrogen sulfite;trimethyl(octyl)phosphanium
PubChem CID173242970
Molecular FormulaC11H27O3PS
Molecular Weight270.37 g/mol
Exact Mass270.14
IUPAC Namehydrogen sulfite;trimethyl(octyl)phosphanium
SMILESCCCCCCCC[P+](C)(C)C.O=S([O-])O
InChIInChI=1S/C11H26P.H2O3S/c1-5-6-7-8-9-10-11-12(2,3)4;1-4(2)3/h5-11H2,1-4H3;(H2,1,2,3)/q+1;/p-1
InChIKeyHKPVXNUFJVRFQB-UHFFFAOYSA-M
XLogP3.59
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(tritriacontyl)phosphanium
CID 118223234
trimethyl(tritetracontyl)phosphanium
CID 157055900
heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
CID 158251637
dopentacontyl(trimethyl)phosphanium bromide
CID 118223258
hexyl(trimethyl)phosphanium bromide
CID 87777909
henicosyl(trimethyl)phosphanium chloride
CID 118223391
hexacosyl(trimethyl)phosphanium chloride
CID 118223241
lithium;octane;sulfite
CID 122668940
cyanamide;trimethyl(octyl)phosphanium
CID 87573111
heptane-2-sulfinate
CID 57081380
sodium;hydrogen sulfite;oct-1-ene-1,1-diamine
CID 86751100
2-methylicosane-1-sulfinate
CID 130296320

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;trimethyl(octyl)phosphanium?
The IUPAC name of hydrogen sulfite;trimethyl(octyl)phosphanium (CID 173242970) is hydrogen sulfite;trimethyl(octyl)phosphanium.
What is the SMILES notation for hydrogen sulfite;trimethyl(octyl)phosphanium?
The canonical SMILES for hydrogen sulfite;trimethyl(octyl)phosphanium is CCCCCCCC[P+](C)(C)C.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;trimethyl(octyl)phosphanium?
The InChIKey is HKPVXNUFJVRFQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26P.H2O3S/c1-5-6-7-8-9-10-11-12(2,3)4;1-4(2)3/h5-11H2,1-4H3;(H2,1,2,3)/q+1;/p-1.
What are the key properties of hydrogen sulfite;trimethyl(octyl)phosphanium?
hydrogen sulfite;trimethyl(octyl)phosphanium has a molecular weight of 270.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;trimethyl(octyl)phosphanium is sourced from PubChem (CID 173242970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).