diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite

C20H30O6P2 — CID 161432608

IUPACdiphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite
SMILESCCCCC(CC)COP(O)O.OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O3P.C8H19O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-3-5-6-8(4-2)7-11-12(9)10/h1-10,13H;8-10H,3-7H2,1-2H3
InChIKeyVYFJYANOHVLIQQ-UHFFFAOYSA-N
MW428.40 g/mol
LogP5.79
Rot. Bonds11

About diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite

diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite (PubChem CID 161432608) has the molecular formula C20H30O6P2 and a molecular weight of 428.40 g/mol. Its IUPAC name is diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite.

Molecular Properties

Compound Namediphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite
PubChem CID161432608
Molecular FormulaC20H30O6P2
Molecular Weight428.40 g/mol
Exact Mass428.15
IUPAC Namediphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite
SMILESCCCCC(CC)COP(O)O.OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O3P.C8H19O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-3-5-6-8(4-2)7-11-12(9)10/h1-10,13H;8-10H,3-7H2,1-2H3
InChIKeyVYFJYANOHVLIQQ-UHFFFAOYSA-N
XLogP5.79
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate
CID 174771557
(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite
CID 54359277
diphenyl hydrogen phosphite;ethanol
CID 159674253
2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid
CID 137423428
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
2-ethylhexoxy(phenoxy)phosphane
CID 23385803
2-ethylhexyl diphenyl phosphate;phosphoric acid
CID 172820434
2-propylheptyl dihydrogen phosphite
CID 87359174
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
lithium;bis(2-ethyloctyl) hydrogen phosphite;hydride
CID 173436132
nickel;tetrakis(tris(2-ethylhexyl) phosphite)
CID 14475286
CID 174494301
CID 174494301

Frequently Asked Questions

What is the IUPAC name of diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite?
The IUPAC name of diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite (CID 161432608) is diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite.
What is the SMILES notation for diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite?
The canonical SMILES for diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite is CCCCC(CC)COP(O)O.OP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite?
The InChIKey is VYFJYANOHVLIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O3P.C8H19O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-3-5-6-8(4-2)7-11-12(9)10/h1-10,13H;8-10H,3-7H2,1-2H3.
What are the key properties of diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite?
diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite has a molecular weight of 428.40 g/mol, XLogP of 5.79, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite is sourced from PubChem (CID 161432608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).