tris(2-hexyldecyl) phosphite

C48H99O3P — CID 22752938

IUPACtris(2-hexyldecyl) phosphite
SMILESCCCCCCCCC(CCCCCC)COP(OCC(CCCCCC)CCCCCCCC)OCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C48H99O3P/c1-7-13-19-25-28-34-40-46(37-31-22-16-10-4)43-49-52(50-44-47(38-32-23-17-11-5)41-35-29-26-20-14-8-2)51-45-48(39-33-24-18-12-6)42-36-30-27-21-15-9-3/h46-48H,7-45H2,1-6H3
InChIKeyJKYBZEOZQJWMDO-UHFFFAOYSA-N
MW755.29 g/mol
LogP18.27
Rot. Bonds45

About tris(2-hexyldecyl) phosphite

tris(2-hexyldecyl) phosphite (PubChem CID 22752938) has the molecular formula C48H99O3P and a molecular weight of 755.29 g/mol. Its IUPAC name is tris(2-hexyldecyl) phosphite.

Molecular Properties

Compound Nametris(2-hexyldecyl) phosphite
PubChem CID22752938
Molecular FormulaC48H99O3P
Molecular Weight755.29 g/mol
Exact Mass754.73
IUPAC Nametris(2-hexyldecyl) phosphite
SMILESCCCCCCCCC(CCCCCC)COP(OCC(CCCCCC)CCCCCCCC)OCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C48H99O3P/c1-7-13-19-25-28-34-40-46(37-31-22-16-10-4)43-49-52(50-44-47(38-32-23-17-11-5)41-35-29-26-20-14-8-2)51-45-48(39-33-24-18-12-6)42-36-30-27-21-15-9-3/h46-48H,7-45H2,1-6H3
InChIKeyJKYBZEOZQJWMDO-UHFFFAOYSA-N
XLogP18.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds45
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.29
LogP ≤ 518.27
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

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2-propylheptyl dihydrogen phosphite
CID 87359174
19-(methoxymethyl)heptatriacontane
CID 59499210
CID 178056197
CID 178056197
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569

Frequently Asked Questions

What is the IUPAC name of tris(2-hexyldecyl) phosphite?
The IUPAC name of tris(2-hexyldecyl) phosphite (CID 22752938) is tris(2-hexyldecyl) phosphite.
What is the SMILES notation for tris(2-hexyldecyl) phosphite?
The canonical SMILES for tris(2-hexyldecyl) phosphite is CCCCCCCCC(CCCCCC)COP(OCC(CCCCCC)CCCCCCCC)OCC(CCCCCC)CCCCCCCC.
What is the InChIKey of tris(2-hexyldecyl) phosphite?
The InChIKey is JKYBZEOZQJWMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H99O3P/c1-7-13-19-25-28-34-40-46(37-31-22-16-10-4)43-49-52(50-44-47(38-32-23-17-11-5)41-35-29-26-20-14-8-2)51-45-48(39-33-24-18-12-6)42-36-30-27-21-15-9-3/h46-48H,7-45H2,1-6H3.
What are the key properties of tris(2-hexyldecyl) phosphite?
tris(2-hexyldecyl) phosphite has a molecular weight of 755.29 g/mol, XLogP of 18.27, 45 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hexyldecyl) phosphite is sourced from PubChem (CID 22752938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).