bis(2-decylphenyl) phenyl phosphite

C38H55O3P — CID 67947899

IUPACbis(2-decylphenyl) phenyl phosphite
SMILESCCCCCCCCCCc1ccccc1OP(Oc1ccccc1)Oc1ccccc1CCCCCCCCCC
InChIInChI=1S/C38H55O3P/c1-3-5-7-9-11-13-15-18-26-34-28-22-24-32-37(34)40-42(39-36-30-20-17-21-31-36)41-38-33-25-23-29-35(38)27-19-16-14-12-10-8-6-4-2/h17,20-25,28-33H,3-16,18-19,26-27H2,1-2H3
InChIKeyOXDLJPVWJXROML-UHFFFAOYSA-N
MW590.83 g/mol
LogP12.82
Rot. Bonds24

About bis(2-decylphenyl) phenyl phosphite

bis(2-decylphenyl) phenyl phosphite (PubChem CID 67947899) has the molecular formula C38H55O3P and a molecular weight of 590.83 g/mol. Its IUPAC name is bis(2-decylphenyl) phenyl phosphite.

Molecular Properties

Compound Namebis(2-decylphenyl) phenyl phosphite
PubChem CID67947899
Molecular FormulaC38H55O3P
Molecular Weight590.83 g/mol
Exact Mass590.39
IUPAC Namebis(2-decylphenyl) phenyl phosphite
SMILESCCCCCCCCCCc1ccccc1OP(Oc1ccccc1)Oc1ccccc1CCCCCCCCCC
InChIInChI=1S/C38H55O3P/c1-3-5-7-9-11-13-15-18-26-34-28-22-24-32-37(34)40-42(39-36-30-20-17-21-31-36)41-38-33-25-23-29-35(38)27-19-16-14-12-10-8-6-4-2/h17,20-25,28-33H,3-16,18-19,26-27H2,1-2H3
InChIKeyOXDLJPVWJXROML-UHFFFAOYSA-N
XLogP12.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.83
LogP ≤ 512.82
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

diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
1-pentadecyl-2-phenoxybenzene
CID 101290758
[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
CID 18964056
bis(4-dodecylphenyl) phenyl phosphite
CID 154294931
bis(2-nonylphenyl) hydrogen phosphite
CID 14876803
(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
CID 69425077
1-methoxy-2-tetradecylbenzene
CID 69169530
dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite
CID 154111856
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-heptyl-2-octadecoxybenzene
CID 139667653
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656

Frequently Asked Questions

What is the IUPAC name of bis(2-decylphenyl) phenyl phosphite?
The IUPAC name of bis(2-decylphenyl) phenyl phosphite (CID 67947899) is bis(2-decylphenyl) phenyl phosphite.
What is the SMILES notation for bis(2-decylphenyl) phenyl phosphite?
The canonical SMILES for bis(2-decylphenyl) phenyl phosphite is CCCCCCCCCCc1ccccc1OP(Oc1ccccc1)Oc1ccccc1CCCCCCCCCC.
What is the InChIKey of bis(2-decylphenyl) phenyl phosphite?
The InChIKey is OXDLJPVWJXROML-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55O3P/c1-3-5-7-9-11-13-15-18-26-34-28-22-24-32-37(34)40-42(39-36-30-20-17-21-31-36)41-38-33-25-23-29-35(38)27-19-16-14-12-10-8-6-4-2/h17,20-25,28-33H,3-16,18-19,26-27H2,1-2H3.
What are the key properties of bis(2-decylphenyl) phenyl phosphite?
bis(2-decylphenyl) phenyl phosphite has a molecular weight of 590.83 g/mol, XLogP of 12.82, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-decylphenyl) phenyl phosphite is sourced from PubChem (CID 67947899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).