sodium;dodecan-1-ol;hydride;phosphoric acid

C12H33NaO9P2 — CID 173189206

IUPACsodium;dodecan-1-ol;hydride;phosphoric acid
SMILESCCCCCCCCCCCCO.O=P(O)(O)O.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C12H26O.Na.2H3O4P.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;2*1-5(2,3)4;/h13H,2-12H2,1H3;;2*(H3,1,2,3,4);/q;+1;;;-1
InChIKeyQFTTWFMCRMPTEI-UHFFFAOYSA-N
MW406.33 g/mol
LogP-0.84
Rot. Bonds10

About sodium;dodecan-1-ol;hydride;phosphoric acid

sodium;dodecan-1-ol;hydride;phosphoric acid (PubChem CID 173189206) has the molecular formula C12H33NaO9P2 and a molecular weight of 406.33 g/mol. Its IUPAC name is sodium;dodecan-1-ol;hydride;phosphoric acid.

Molecular Properties

Compound Namesodium;dodecan-1-ol;hydride;phosphoric acid
PubChem CID173189206
Molecular FormulaC12H33NaO9P2
Molecular Weight406.33 g/mol
Exact Mass406.15
IUPAC Namesodium;dodecan-1-ol;hydride;phosphoric acid
SMILESCCCCCCCCCCCCO.O=P(O)(O)O.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C12H26O.Na.2H3O4P.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;2*1-5(2,3)4;/h13H,2-12H2,1H3;;2*(H3,1,2,3,4);/q;+1;;;-1
InChIKeyQFTTWFMCRMPTEI-UHFFFAOYSA-N
XLogP-0.84
TPSA175.75 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;phosphoric acid;triacontan-1-ol
CID 175292657
heptadecan-1-ol;phosphoric acid
CID 174616506
octadecan-1-ol;phosphoric acid;zinc
CID 175122102
phosphoric acid;silane;tridecan-1-ol
CID 174860606
CID 170851414
CID 170851414
trisodium;octadecan-1-ol;phosphate
CID 173304985
sodium;dodecan-1-ol;hydride
CID 173039865
aminophosphonic acid;dodecan-1-ol
CID 174506019
dodecane;phosphoric acid
CID 88801558
(E)-octadec-9-en-1-ol;phosphoric acid
CID 18003832
calcium;hydride;undecan-1-ol
CID 174734394
calcium;dodecan-1-ol;hydride
CID 173099575

Frequently Asked Questions

What is the IUPAC name of sodium;dodecan-1-ol;hydride;phosphoric acid?
The IUPAC name of sodium;dodecan-1-ol;hydride;phosphoric acid (CID 173189206) is sodium;dodecan-1-ol;hydride;phosphoric acid.
What is the SMILES notation for sodium;dodecan-1-ol;hydride;phosphoric acid?
The canonical SMILES for sodium;dodecan-1-ol;hydride;phosphoric acid is CCCCCCCCCCCCO.O=P(O)(O)O.O=P(O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;dodecan-1-ol;hydride;phosphoric acid?
The InChIKey is QFTTWFMCRMPTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.Na.2H3O4P.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;2*1-5(2,3)4;/h13H,2-12H2,1H3;;2*(H3,1,2,3,4);/q;+1;;;-1.
What are the key properties of sodium;dodecan-1-ol;hydride;phosphoric acid?
sodium;dodecan-1-ol;hydride;phosphoric acid has a molecular weight of 406.33 g/mol, XLogP of -0.84, 10 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecan-1-ol;hydride;phosphoric acid is sourced from PubChem (CID 173189206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).