sodium;hydrogen sulfite;4-nonylphenol

C15H25NaO4S — CID 174890195

IUPACsodium;hydrogen sulfite;4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)cc1.O=S([O-])O.[Na+]
InChIInChI=1S/C15H24O.Na.H2O3S/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;;1-4(2)3/h10-13,16H,2-9H2,1H3;;(H2,1,2,3)/q;+1;/p-1
InChIKeyCVURVVHLHGVSSC-UHFFFAOYSA-M
MW324.42 g/mol
LogP1.03
Rot. Bonds8

About sodium;hydrogen sulfite;4-nonylphenol

sodium;hydrogen sulfite;4-nonylphenol (PubChem CID 174890195) has the molecular formula C15H25NaO4S and a molecular weight of 324.42 g/mol. Its IUPAC name is sodium;hydrogen sulfite;4-nonylphenol.

Molecular Properties

Compound Namesodium;hydrogen sulfite;4-nonylphenol
PubChem CID174890195
Molecular FormulaC15H25NaO4S
Molecular Weight324.42 g/mol
Exact Mass324.14
IUPAC Namesodium;hydrogen sulfite;4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)cc1.O=S([O-])O.[Na+]
InChIInChI=1S/C15H24O.Na.H2O3S/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;;1-4(2)3/h10-13,16H,2-9H2,1H3;;(H2,1,2,3)/q;+1;/p-1
InChIKeyCVURVVHLHGVSSC-UHFFFAOYSA-M
XLogP1.03
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanolate;nickel(3+);4-octylphenol
CID 159960852
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
tris(4-nonylphenol);phosphoric acid
CID 71361187
calcium;4-dodecylphenol;hydride;sulfane
CID 174796411
sodium 4-octylbenzenesulfinate
CID 23714330
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479

Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen sulfite;4-nonylphenol?
The IUPAC name of sodium;hydrogen sulfite;4-nonylphenol (CID 174890195) is sodium;hydrogen sulfite;4-nonylphenol.
What is the SMILES notation for sodium;hydrogen sulfite;4-nonylphenol?
The canonical SMILES for sodium;hydrogen sulfite;4-nonylphenol is CCCCCCCCCc1ccc(O)cc1.O=S([O-])O.[Na+].
What is the InChIKey of sodium;hydrogen sulfite;4-nonylphenol?
The InChIKey is CVURVVHLHGVSSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24O.Na.H2O3S/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;;1-4(2)3/h10-13,16H,2-9H2,1H3;;(H2,1,2,3)/q;+1;/p-1.
What are the key properties of sodium;hydrogen sulfite;4-nonylphenol?
sodium;hydrogen sulfite;4-nonylphenol has a molecular weight of 324.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen sulfite;4-nonylphenol is sourced from PubChem (CID 174890195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).