phenyl ditetradecyl phosphite

C34H63O3P — CID 20512072

IUPACphenyl ditetradecyl phosphite
SMILESCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C34H63O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-35-38(37-34-30-26-25-27-31-34)36-33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31H,3-24,28-29,32-33H2,1-2H3
InChIKeyTVCOTRALWFHIOO-UHFFFAOYSA-N
MW550.85 g/mol
LogP12.73
Rot. Bonds30

About phenyl ditetradecyl phosphite

phenyl ditetradecyl phosphite (PubChem CID 20512072) has the molecular formula C34H63O3P and a molecular weight of 550.85 g/mol. Its IUPAC name is phenyl ditetradecyl phosphite.

Molecular Properties

Compound Namephenyl ditetradecyl phosphite
PubChem CID20512072
Molecular FormulaC34H63O3P
Molecular Weight550.85 g/mol
Exact Mass550.45
IUPAC Namephenyl ditetradecyl phosphite
SMILESCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C34H63O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-35-38(37-34-30-26-25-27-31-34)36-33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31H,3-24,28-29,32-33H2,1-2H3
InChIKeyTVCOTRALWFHIOO-UHFFFAOYSA-N
XLogP12.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.85
LogP ≤ 512.73
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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Frequently Asked Questions

What is the IUPAC name of phenyl ditetradecyl phosphite?
The IUPAC name of phenyl ditetradecyl phosphite (CID 20512072) is phenyl ditetradecyl phosphite.
What is the SMILES notation for phenyl ditetradecyl phosphite?
The canonical SMILES for phenyl ditetradecyl phosphite is CCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCC)Oc1ccccc1.
What is the InChIKey of phenyl ditetradecyl phosphite?
The InChIKey is TVCOTRALWFHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H63O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-35-38(37-34-30-26-25-27-31-34)36-33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31H,3-24,28-29,32-33H2,1-2H3.
What are the key properties of phenyl ditetradecyl phosphite?
phenyl ditetradecyl phosphite has a molecular weight of 550.85 g/mol, XLogP of 12.73, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl ditetradecyl phosphite is sourced from PubChem (CID 20512072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).