diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite

C27H36O6P2 — CID 88805641

IUPACdiphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
SMILESCCCCCCCCCc1ccccc1OP(O)O.OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H25O3P.C12H11O3P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)18-19(16)17;13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h9-10,12-13,16-17H,2-8,11H2,1H3;1-10,13H
InChIKeySLYOEVCEOGNXGC-UHFFFAOYSA-N
MW518.53 g/mol
LogP7.93
Rot. Bonds14

About diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite

diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite (PubChem CID 88805641) has the molecular formula C27H36O6P2 and a molecular weight of 518.53 g/mol. Its IUPAC name is diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Namediphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
PubChem CID88805641
Molecular FormulaC27H36O6P2
Molecular Weight518.53 g/mol
Exact Mass518.20
IUPAC Namediphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
SMILESCCCCCCCCCc1ccccc1OP(O)O.OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H25O3P.C12H11O3P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)18-19(16)17;13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h9-10,12-13,16-17H,2-8,11H2,1H3;1-10,13H
InChIKeySLYOEVCEOGNXGC-UHFFFAOYSA-N
XLogP7.93
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.53
LogP ≤ 57.93
H-Bond Donors ≤ 53
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

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(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite
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phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
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CID 69169530

Frequently Asked Questions

What is the IUPAC name of diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite?
The IUPAC name of diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite (CID 88805641) is diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite.
What is the SMILES notation for diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite?
The canonical SMILES for diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite is CCCCCCCCCc1ccccc1OP(O)O.OP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite?
The InChIKey is SLYOEVCEOGNXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P.C12H11O3P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)18-19(16)17;13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h9-10,12-13,16-17H,2-8,11H2,1H3;1-10,13H.
What are the key properties of diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite?
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite has a molecular weight of 518.53 g/mol, XLogP of 7.93, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite is sourced from PubChem (CID 88805641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).