tricyclooctyl phosphite

C24H45O3P — CID 67250015

IUPACtricyclooctyl phosphite
SMILESC1CCCC(OP(OC2CCCCCCC2)OC2CCCCCCC2)CCC1
InChIInChI=1S/C24H45O3P/c1-4-10-16-22(17-11-5-1)25-28(26-23-18-12-6-2-7-13-19-23)27-24-20-14-8-3-9-15-21-24/h22-24H,1-21H2
InChIKeyRPXTUSFGOFSQTK-UHFFFAOYSA-N
MW412.60 g/mol
LogP8.60
Rot. Bonds6

About tricyclooctyl phosphite

tricyclooctyl phosphite (PubChem CID 67250015) has the molecular formula C24H45O3P and a molecular weight of 412.60 g/mol. Its IUPAC name is tricyclooctyl phosphite.

Molecular Properties

Compound Nametricyclooctyl phosphite
PubChem CID67250015
Molecular FormulaC24H45O3P
Molecular Weight412.60 g/mol
Exact Mass412.31
IUPAC Nametricyclooctyl phosphite
SMILESC1CCCC(OP(OC2CCCCCCC2)OC2CCCCCCC2)CCC1
InChIInChI=1S/C24H45O3P/c1-4-10-16-22(17-11-5-1)25-28(26-23-18-12-6-2-7-13-19-23)27-24-20-14-8-3-9-15-21-24/h22-24H,1-21H2
InChIKeyRPXTUSFGOFSQTK-UHFFFAOYSA-N
XLogP8.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tricyclooctyl phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tricyclododecyl phosphite
CID 126731698
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
methoxycyclooctane
CID 551195
silyloxycyclohexane
CID 19892694

Frequently Asked Questions

What is the IUPAC name of tricyclooctyl phosphite?
The IUPAC name of tricyclooctyl phosphite (CID 67250015) is tricyclooctyl phosphite.
What is the SMILES notation for tricyclooctyl phosphite?
The canonical SMILES for tricyclooctyl phosphite is C1CCCC(OP(OC2CCCCCCC2)OC2CCCCCCC2)CCC1.
What is the InChIKey of tricyclooctyl phosphite?
The InChIKey is RPXTUSFGOFSQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45O3P/c1-4-10-16-22(17-11-5-1)25-28(26-23-18-12-6-2-7-13-19-23)27-24-20-14-8-3-9-15-21-24/h22-24H,1-21H2.
What are the key properties of tricyclooctyl phosphite?
tricyclooctyl phosphite has a molecular weight of 412.60 g/mol, XLogP of 8.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclooctyl phosphite is sourced from PubChem (CID 67250015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).