butane-1,4-diol;bis(dimethylphosphinic acid)

C8H24O6P2 — CID 87843342

IUPACbutane-1,4-diol;bis(dimethylphosphinic acid)
SMILESCP(C)(=O)O.CP(C)(=O)O.OCCCCO
InChIInChI=1S/C4H10O2.2C2H7O2P/c5-3-1-2-4-6;2*1-5(2,3)4/h5-6H,1-4H2;2*1-2H3,(H,3,4)
InChIKeyIHOUORRZDOGIPT-UHFFFAOYSA-N
MW278.22 g/mol
LogP0.78
Rot. Bonds3

About butane-1,4-diol;bis(dimethylphosphinic acid)

butane-1,4-diol;bis(dimethylphosphinic acid) (PubChem CID 87843342) has the molecular formula C8H24O6P2 and a molecular weight of 278.22 g/mol. Its IUPAC name is butane-1,4-diol;bis(dimethylphosphinic acid).

Molecular Properties

Compound Namebutane-1,4-diol;bis(dimethylphosphinic acid)
PubChem CID87843342
Molecular FormulaC8H24O6P2
Molecular Weight278.22 g/mol
Exact Mass278.10
IUPAC Namebutane-1,4-diol;bis(dimethylphosphinic acid)
SMILESCP(C)(=O)O.CP(C)(=O)O.OCCCCO
InChIInChI=1S/C4H10O2.2C2H7O2P/c5-3-1-2-4-6;2*1-5(2,3)4/h5-6H,1-4H2;2*1-2H3,(H,3,4)
InChIKeyIHOUORRZDOGIPT-UHFFFAOYSA-N
XLogP0.78
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

heptadecan-1-ol;phosphoric acid
CID 174616506
octadecan-1-ol;phosphoric acid;zinc
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phosphoric acid;silane;tridecan-1-ol
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aminophosphonic acid;dodecan-1-ol
CID 174506019
sodium;dodecan-1-ol;hydride;phosphoric acid
CID 173189206
calcium;hydride;phosphoric acid;triacontan-1-ol
CID 175292657
ethenylphosphonic acid;propane-1,3-diol
CID 159146855
dimethylphosphinic acid;ethene
CID 159258868
bis(dimethylphosphinic acid);platinum
CID 58918492
CID 170851414
CID 170851414
6-methylheptan-1-ol;phosphoric acid
CID 138394969
6-methylheptan-1-ol;phosphoric acid;zirconium
CID 174855290

Frequently Asked Questions

What is the IUPAC name of butane-1,4-diol;bis(dimethylphosphinic acid)?
The IUPAC name of butane-1,4-diol;bis(dimethylphosphinic acid) (CID 87843342) is butane-1,4-diol;bis(dimethylphosphinic acid).
What is the SMILES notation for butane-1,4-diol;bis(dimethylphosphinic acid)?
The canonical SMILES for butane-1,4-diol;bis(dimethylphosphinic acid) is CP(C)(=O)O.CP(C)(=O)O.OCCCCO.
What is the InChIKey of butane-1,4-diol;bis(dimethylphosphinic acid)?
The InChIKey is IHOUORRZDOGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.2C2H7O2P/c5-3-1-2-4-6;2*1-5(2,3)4/h5-6H,1-4H2;2*1-2H3,(H,3,4).
What are the key properties of butane-1,4-diol;bis(dimethylphosphinic acid)?
butane-1,4-diol;bis(dimethylphosphinic acid) has a molecular weight of 278.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-diol;bis(dimethylphosphinic acid) is sourced from PubChem (CID 87843342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).