tris-decoxy phosphite

C30H63O6P — CID 19885773

IUPACtris-decoxy phosphite
SMILESCCCCCCCCCCOOP(OOCCCCCCCCCC)OOCCCCCCCCCC
InChIInChI=1S/C30H63O6P/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChIKeyBJJATEHGGYUECY-UHFFFAOYSA-N
MW550.80 g/mol
LogP11.48
Rot. Bonds33

About tris-decoxy phosphite

tris-decoxy phosphite (PubChem CID 19885773) has the molecular formula C30H63O6P and a molecular weight of 550.80 g/mol. Its IUPAC name is tris-decoxy phosphite.

Molecular Properties

Compound Nametris-decoxy phosphite
PubChem CID19885773
Molecular FormulaC30H63O6P
Molecular Weight550.80 g/mol
Exact Mass550.44
IUPAC Nametris-decoxy phosphite
SMILESCCCCCCCCCCOOP(OOCCCCCCCCCC)OOCCCCCCCCCC
InChIInChI=1S/C30H63O6P/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChIKeyBJJATEHGGYUECY-UHFFFAOYSA-N
XLogP11.48
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.80
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-octylperoxynonane
CID 151564626
1-pentylperoxypentane;sulfane
CID 174916685
triheptadecyl phosphite
CID 23435031
1-butylperoxyperoxynonane
CID 90169675
1-methylperoxydocosane
CID 173387093
1-butoxyperoxynonane
CID 90110144
1-methylperoxydecane
CID 20726912
1-(2-nonoxyethoxy)nonane
CID 87982931
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862

Frequently Asked Questions

What is the IUPAC name of tris-decoxy phosphite?
The IUPAC name of tris-decoxy phosphite (CID 19885773) is tris-decoxy phosphite.
What is the SMILES notation for tris-decoxy phosphite?
The canonical SMILES for tris-decoxy phosphite is CCCCCCCCCCOOP(OOCCCCCCCCCC)OOCCCCCCCCCC.
What is the InChIKey of tris-decoxy phosphite?
The InChIKey is BJJATEHGGYUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63O6P/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3.
What are the key properties of tris-decoxy phosphite?
tris-decoxy phosphite has a molecular weight of 550.80 g/mol, XLogP of 11.48, 33 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris-decoxy phosphite is sourced from PubChem (CID 19885773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).