tricyclododecyl phosphite

C36H69O3P — CID 126731698

IUPACtricyclododecyl phosphite
SMILESC1CCCCCC(OP(OC2CCCCCCCCCCC2)OC2CCCCCCCCCCC2)CCCCC1
InChIInChI=1S/C36H69O3P/c1-4-10-16-22-28-34(29-23-17-11-5-1)37-40(38-35-30-24-18-12-6-2-7-13-19-25-31-35)39-36-32-26-20-14-8-3-9-15-21-27-33-36/h34-36H,1-33H2
InChIKeyOSWWLBDWJKEUMW-UHFFFAOYSA-N
MW580.92 g/mol
LogP13.28
Rot. Bonds6

About tricyclododecyl phosphite

tricyclododecyl phosphite (PubChem CID 126731698) has the molecular formula C36H69O3P and a molecular weight of 580.92 g/mol. Its IUPAC name is tricyclododecyl phosphite.

Molecular Properties

Compound Nametricyclododecyl phosphite
PubChem CID126731698
Molecular FormulaC36H69O3P
Molecular Weight580.92 g/mol
Exact Mass580.50
IUPAC Nametricyclododecyl phosphite
SMILESC1CCCCCC(OP(OC2CCCCCCCCCCC2)OC2CCCCCCCCCCC2)CCCCC1
InChIInChI=1S/C36H69O3P/c1-4-10-16-22-28-34(29-23-17-11-5-1)37-40(38-35-30-24-18-12-6-2-7-13-19-25-31-35)39-36-32-26-20-14-8-3-9-15-21-27-33-36/h34-36H,1-33H2
InChIKeyOSWWLBDWJKEUMW-UHFFFAOYSA-N
XLogP13.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.92
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tricyclooctyl phosphite
CID 67250015
nickel;tetrakis(tricyclohexyl phosphite)
CID 173453545
benzene;tricyclohexyl phosphite
CID 70561522
dichloro(cyclododecyloxy)phosphane
CID 54169601
antimony(3+);tris(dicyclohexyl phosphite)
CID 23464194
tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel
CID 173453554
cyclohexyl phosphite;ethene
CID 22165796
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
cyclohexyloxy(dimethyl)silane
CID 575341
silyloxycyclohexane
CID 19892694
CID 172763471
CID 172763471

Frequently Asked Questions

What is the IUPAC name of tricyclododecyl phosphite?
The IUPAC name of tricyclododecyl phosphite (CID 126731698) is tricyclododecyl phosphite.
What is the SMILES notation for tricyclododecyl phosphite?
The canonical SMILES for tricyclododecyl phosphite is C1CCCCCC(OP(OC2CCCCCCCCCCC2)OC2CCCCCCCCCCC2)CCCCC1.
What is the InChIKey of tricyclododecyl phosphite?
The InChIKey is OSWWLBDWJKEUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H69O3P/c1-4-10-16-22-28-34(29-23-17-11-5-1)37-40(38-35-30-24-18-12-6-2-7-13-19-25-31-35)39-36-32-26-20-14-8-3-9-15-21-27-33-36/h34-36H,1-33H2.
What are the key properties of tricyclododecyl phosphite?
tricyclododecyl phosphite has a molecular weight of 580.92 g/mol, XLogP of 13.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclododecyl phosphite is sourced from PubChem (CID 126731698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).