butane-1,4-diol;phosphenous acid

C4H11O4P — CID 174402363

IUPACbutane-1,4-diol;phosphenous acid
SMILESO=PO.OCCCCO
InChIInChI=1S/C4H10O2.HO2P/c5-3-1-2-4-6;1-3-2/h5-6H,1-4H2;(H,1,2)
InChIKeyFKDFMQWSBPCGER-UHFFFAOYSA-N
MW154.10 g/mol
LogP-0.06
Rot. Bonds3

About butane-1,4-diol;phosphenous acid

butane-1,4-diol;phosphenous acid (PubChem CID 174402363) has the molecular formula C4H11O4P and a molecular weight of 154.10 g/mol. Its IUPAC name is butane-1,4-diol;phosphenous acid.

Molecular Properties

Compound Namebutane-1,4-diol;phosphenous acid
PubChem CID174402363
Molecular FormulaC4H11O4P
Molecular Weight154.10 g/mol
Exact Mass154.04
IUPAC Namebutane-1,4-diol;phosphenous acid
SMILESO=PO.OCCCCO
InChIInChI=1S/C4H10O2.HO2P/c5-3-1-2-4-6;1-3-2/h5-6H,1-4H2;(H,1,2)
InChIKeyFKDFMQWSBPCGER-UHFFFAOYSA-N
XLogP-0.06
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
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

CID 174977066
CID 174977066
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
butane-1,4-diol;zinc
CID 170696072
CID 157146691
CID 157146691
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
azane;octakis(butane-1,4-diol)
CID 173377605
bis(dihydroxy(oxo)phosphanium);pentan-1-ol
CID 88669892

Frequently Asked Questions

What is the IUPAC name of butane-1,4-diol;phosphenous acid?
The IUPAC name of butane-1,4-diol;phosphenous acid (CID 174402363) is butane-1,4-diol;phosphenous acid.
What is the SMILES notation for butane-1,4-diol;phosphenous acid?
The canonical SMILES for butane-1,4-diol;phosphenous acid is O=PO.OCCCCO.
What is the InChIKey of butane-1,4-diol;phosphenous acid?
The InChIKey is FKDFMQWSBPCGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.HO2P/c5-3-1-2-4-6;1-3-2/h5-6H,1-4H2;(H,1,2).
What are the key properties of butane-1,4-diol;phosphenous acid?
butane-1,4-diol;phosphenous acid has a molecular weight of 154.10 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-diol;phosphenous acid is sourced from PubChem (CID 174402363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).