tris(11-methyldodecyl) phosphite

C39H81O3P — CID 22630279

IUPACtris(11-methyldodecyl) phosphite
SMILESCC(C)CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C
InChIInChI=1S/C39H81O3P/c1-37(2)31-25-19-13-7-10-16-22-28-34-40-43(41-35-29-23-17-11-8-14-20-26-32-38(3)4)42-36-30-24-18-12-9-15-21-27-33-39(5)6/h37-39H,7-36H2,1-6H3
InChIKeyIVINYWARLXOTLP-UHFFFAOYSA-N
MW629.05 g/mol
LogP14.76
Rot. Bonds36

About tris(11-methyldodecyl) phosphite

tris(11-methyldodecyl) phosphite (PubChem CID 22630279) has the molecular formula C39H81O3P and a molecular weight of 629.05 g/mol. Its IUPAC name is tris(11-methyldodecyl) phosphite.

Molecular Properties

Compound Nametris(11-methyldodecyl) phosphite
PubChem CID22630279
Molecular FormulaC39H81O3P
Molecular Weight629.05 g/mol
Exact Mass628.59
IUPAC Nametris(11-methyldodecyl) phosphite
SMILESCC(C)CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C
InChIInChI=1S/C39H81O3P/c1-37(2)31-25-19-13-7-10-16-22-28-34-40-43(41-35-29-23-17-11-8-14-20-26-32-38(3)4)42-36-30-24-18-12-9-15-21-27-33-39(5)6/h37-39H,7-36H2,1-6H3
InChIKeyIVINYWARLXOTLP-UHFFFAOYSA-N
XLogP14.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.05
LogP ≤ 514.76
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

Trilauryl phosphite
CID 76495
Tris(2-ethylhexyl) phosphite
CID 9320
Zinc isodecyl phosphorodithioate
CID 32791
Triisooctylphosphite
CID 90714
Triisodecyl phosphite
CID 117488
Diisooctyl phosphate
CID 103474
Phosphonic acid, diisotridecyl ester
CID 6335864
Diisooctyl dithiophosphate
CID 117907
Tris(tridecan-1-yl) phosphite
CID 77711
Phosphorous acid, trioctadecyl ester
CID 248442
Triisooctyl phosphate
CID 90715
Phosphoric acid, isooctadecyl ester
CID 9863244

Frequently Asked Questions

What is the IUPAC name of tris(11-methyldodecyl) phosphite?
The IUPAC name of tris(11-methyldodecyl) phosphite (CID 22630279) is tris(11-methyldodecyl) phosphite.
What is the SMILES notation for tris(11-methyldodecyl) phosphite?
The canonical SMILES for tris(11-methyldodecyl) phosphite is CC(C)CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C.
What is the InChIKey of tris(11-methyldodecyl) phosphite?
The InChIKey is IVINYWARLXOTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H81O3P/c1-37(2)31-25-19-13-7-10-16-22-28-34-40-43(41-35-29-23-17-11-8-14-20-26-32-38(3)4)42-36-30-24-18-12-9-15-21-27-33-39(5)6/h37-39H,7-36H2,1-6H3.
What are the key properties of tris(11-methyldodecyl) phosphite?
tris(11-methyldodecyl) phosphite has a molecular weight of 629.05 g/mol, XLogP of 14.76, 36 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(11-methyldodecyl) phosphite is sourced from PubChem (CID 22630279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).