dibutyl hydrogen phosphite;phosphorous acid

C8H22O6P2 — CID 88648426

IUPACdibutyl hydrogen phosphite;phosphorous acid
SMILESCCCCOP(O)OCCCC.OP(O)O
InChIInChI=1S/C8H19O3P.H3O3P/c1-3-5-7-10-12(9)11-8-6-4-2;1-4(2)3/h9H,3-8H2,1-2H3;1-3H
InChIKeyJQJZEJHRGZAJJX-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.03
Rot. Bonds8

About dibutyl hydrogen phosphite;phosphorous acid

dibutyl hydrogen phosphite;phosphorous acid (PubChem CID 88648426) has the molecular formula C8H22O6P2 and a molecular weight of 276.21 g/mol. Its IUPAC name is dibutyl hydrogen phosphite;phosphorous acid.

Molecular Properties

Compound Namedibutyl hydrogen phosphite;phosphorous acid
PubChem CID88648426
Molecular FormulaC8H22O6P2
Molecular Weight276.21 g/mol
Exact Mass276.09
IUPAC Namedibutyl hydrogen phosphite;phosphorous acid
SMILESCCCCOP(O)OCCCC.OP(O)O
InChIInChI=1S/C8H19O3P.H3O3P/c1-3-5-7-10-12(9)11-8-6-4-2;1-4(2)3/h9H,3-8H2,1-2H3;1-3H
InChIKeyJQJZEJHRGZAJJX-UHFFFAOYSA-N
XLogP2.03
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
didecyl hydrogen phosphite
CID 14151265
carbamic acid;dibutyl hydrogen phosphite
CID 174676710
propyl tetradecyl hydrogen phosphite
CID 121403997
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
CID 87482236
didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane
CID 159134854
hexyl methyl hydrogen phosphite
CID 22731198
dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate
CID 88746591
pentyl dihydrogen phosphite;zinc
CID 88839337
dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite
CID 87479018
dibutyl hydrogen phosphite;phenylmethanamine;propan-2-one
CID 68898928

Frequently Asked Questions

What is the IUPAC name of dibutyl hydrogen phosphite;phosphorous acid?
The IUPAC name of dibutyl hydrogen phosphite;phosphorous acid (CID 88648426) is dibutyl hydrogen phosphite;phosphorous acid.
What is the SMILES notation for dibutyl hydrogen phosphite;phosphorous acid?
The canonical SMILES for dibutyl hydrogen phosphite;phosphorous acid is CCCCOP(O)OCCCC.OP(O)O.
What is the InChIKey of dibutyl hydrogen phosphite;phosphorous acid?
The InChIKey is JQJZEJHRGZAJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P.H3O3P/c1-3-5-7-10-12(9)11-8-6-4-2;1-4(2)3/h9H,3-8H2,1-2H3;1-3H.
What are the key properties of dibutyl hydrogen phosphite;phosphorous acid?
dibutyl hydrogen phosphite;phosphorous acid has a molecular weight of 276.21 g/mol, XLogP of 2.03, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl hydrogen phosphite;phosphorous acid is sourced from PubChem (CID 88648426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).