didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane

C48H104O6P2 — CID 159134854

IUPACdidodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane
SMILESCCCCCCCCCCCCOP(O)OCCCCCCCCCCCC.CCCCCCCCCCCCP(O)(O)(O)CCCCCCCCCCCC
InChIInChI=1S/C24H53O3P.C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28(25,26,27)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24H2,1-2H3;25H,3-24H2,1-2H3
InChIKeyKHIYUTPEOLPROJ-UHFFFAOYSA-N
MW839.30 g/mol
LogP17.18
Rot. Bonds46

About didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane

didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane (PubChem CID 159134854) has the molecular formula C48H104O6P2 and a molecular weight of 839.30 g/mol. Its IUPAC name is didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane.

Molecular Properties

Compound Namedidodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane
PubChem CID159134854
Molecular FormulaC48H104O6P2
Molecular Weight839.30 g/mol
Exact Mass838.73
IUPAC Namedidodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane
SMILESCCCCCCCCCCCCOP(O)OCCCCCCCCCCCC.CCCCCCCCCCCCP(O)(O)(O)CCCCCCCCCCCC
InChIInChI=1S/C24H53O3P.C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28(25,26,27)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24H2,1-2H3;25H,3-24H2,1-2H3
InChIKeyKHIYUTPEOLPROJ-UHFFFAOYSA-N
XLogP17.18
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds46
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.30
LogP ≤ 517.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane 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

didecyl hydrogen phosphite
CID 14151265
propyl tetradecyl hydrogen phosphite
CID 121403997
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
CID 87482236
hexyl methyl hydrogen phosphite
CID 22731198
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
triheptadecyl phosphite
CID 23435031
azane;hexyl dihydrogen phosphite
CID 173357133
dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite
CID 87479018
cyclohexyl pentyl hydrogen phosphite
CID 174258819
pentadecoxyphosphonamidous acid
CID 149252404

Frequently Asked Questions

What is the IUPAC name of didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane?
The IUPAC name of didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane (CID 159134854) is didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane.
What is the SMILES notation for didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane?
The canonical SMILES for didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane is CCCCCCCCCCCCOP(O)OCCCCCCCCCCCC.CCCCCCCCCCCCP(O)(O)(O)CCCCCCCCCCCC.
What is the InChIKey of didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane?
The InChIKey is KHIYUTPEOLPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53O3P.C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28(25,26,27)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24H2,1-2H3;25H,3-24H2,1-2H3.
What are the key properties of didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane?
didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane has a molecular weight of 839.30 g/mol, XLogP of 17.18, 46 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane is sourced from PubChem (CID 159134854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).