[2,3-di(nonyl)phenyl] nonyl phenyl phosphite

C39H65O3P — CID 18964056

IUPAC[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
SMILESCCCCCCCCCOP(Oc1ccccc1)Oc1cccc(CCCCCCCCC)c1CCCCCCCCC
InChIInChI=1S/C39H65O3P/c1-4-7-10-13-16-19-23-29-36-30-28-34-39(38(36)33-26-20-17-14-11-8-5-2)42-43(41-37-31-24-22-25-32-37)40-35-27-21-18-15-12-9-6-3/h22,24-25,28,30-32,34H,4-21,23,26-27,29,33,35H2,1-3H3
InChIKeyXDXDKLFGVYMMKP-UHFFFAOYSA-N
MW612.92 g/mol
LogP13.72
Rot. Bonds29

About [2,3-di(nonyl)phenyl] nonyl phenyl phosphite

[2,3-di(nonyl)phenyl] nonyl phenyl phosphite (PubChem CID 18964056) has the molecular formula C39H65O3P and a molecular weight of 612.92 g/mol. Its IUPAC name is [2,3-di(nonyl)phenyl] nonyl phenyl phosphite.

Molecular Properties

Compound Name[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
PubChem CID18964056
Molecular FormulaC39H65O3P
Molecular Weight612.92 g/mol
Exact Mass612.47
IUPAC Name[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
SMILESCCCCCCCCCOP(Oc1ccccc1)Oc1cccc(CCCCCCCCC)c1CCCCCCCCC
InChIInChI=1S/C39H65O3P/c1-4-7-10-13-16-19-23-29-36-30-28-34-39(38(36)33-26-20-17-14-11-8-5-2)42-43(41-37-31-24-22-25-32-37)40-35-27-21-18-15-12-9-6-3/h22,24-25,28,30-32,34H,4-21,23,26-27,29,33,35H2,1-3H3
InChIKeyXDXDKLFGVYMMKP-UHFFFAOYSA-N
XLogP13.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.92
LogP ≤ 513.72
H-Bond Donors ≤ 50
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

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2-decyl-1-phenoxy-3-propylbenzene
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1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
octyl bis(4-octylphenyl) phosphite
CID 57093552
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
1-(2-decoxyethyl)-3-[3-(2-decoxyethyl)-2-pentylphenoxy]-2-pentylbenzene
CID 139978430
10-[2-(9-carboxynonyl)-3-hexoxyphenyl]decanoic acid
CID 151006342

Frequently Asked Questions

What is the IUPAC name of [2,3-di(nonyl)phenyl] nonyl phenyl phosphite?
The IUPAC name of [2,3-di(nonyl)phenyl] nonyl phenyl phosphite (CID 18964056) is [2,3-di(nonyl)phenyl] nonyl phenyl phosphite.
What is the SMILES notation for [2,3-di(nonyl)phenyl] nonyl phenyl phosphite?
The canonical SMILES for [2,3-di(nonyl)phenyl] nonyl phenyl phosphite is CCCCCCCCCOP(Oc1ccccc1)Oc1cccc(CCCCCCCCC)c1CCCCCCCCC.
What is the InChIKey of [2,3-di(nonyl)phenyl] nonyl phenyl phosphite?
The InChIKey is XDXDKLFGVYMMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H65O3P/c1-4-7-10-13-16-19-23-29-36-30-28-34-39(38(36)33-26-20-17-14-11-8-5-2)42-43(41-37-31-24-22-25-32-37)40-35-27-21-18-15-12-9-6-3/h22,24-25,28,30-32,34H,4-21,23,26-27,29,33,35H2,1-3H3.
What are the key properties of [2,3-di(nonyl)phenyl] nonyl phenyl phosphite?
[2,3-di(nonyl)phenyl] nonyl phenyl phosphite has a molecular weight of 612.92 g/mol, XLogP of 13.72, 29 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-di(nonyl)phenyl] nonyl phenyl phosphite is sourced from PubChem (CID 18964056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).