triheptadecyl phosphite

C51H105O3P — CID 23435031

IUPACtriheptadecyl phosphite
SMILESCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H105O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-51H2,1-3H3
InChIKeyYLZRXXMJUKWPOI-UHFFFAOYSA-N
MW797.37 g/mol
LogP19.88
Rot. Bonds51

About triheptadecyl phosphite

triheptadecyl phosphite (PubChem CID 23435031) has the molecular formula C51H105O3P and a molecular weight of 797.37 g/mol. Its IUPAC name is triheptadecyl phosphite.

Molecular Properties

Compound Nametriheptadecyl phosphite
PubChem CID23435031
Molecular FormulaC51H105O3P
Molecular Weight797.37 g/mol
Exact Mass796.78
IUPAC Nametriheptadecyl phosphite
SMILESCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H105O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-51H2,1-3H3
InChIKeyYLZRXXMJUKWPOI-UHFFFAOYSA-N
XLogP19.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds51
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.37
LogP ≤ 519.88
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

tris[(9Z,12Z)-octadeca-9,12-dienyl] phosphite
CID 88726747
chlororuthenium;tris(tributyl phosphite)
CID 173315437
diethyl(hexoxy)phosphane
CID 87283104
didecyl hydrogen phosphite
CID 14151265
chloro(didodecoxy)phosphane
CID 54405346
disodium;hexyl phosphite
CID 139691830
decoxy(octoxy)phosphinothious acid
CID 54152589
tetrakis(ditridecyl phosphite);titanium(4+)
CID 160640114
lithium dioctyl phosphite
CID 174541245
butyl(dioctoxy)phosphane
CID 139899840
azane;hexyl dihydrogen phosphite
CID 173357133
sodium didodecyl phosphite
CID 23710886

Frequently Asked Questions

What is the IUPAC name of triheptadecyl phosphite?
The IUPAC name of triheptadecyl phosphite (CID 23435031) is triheptadecyl phosphite.
What is the SMILES notation for triheptadecyl phosphite?
The canonical SMILES for triheptadecyl phosphite is CCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCC.
What is the InChIKey of triheptadecyl phosphite?
The InChIKey is YLZRXXMJUKWPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H105O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-51H2,1-3H3.
What are the key properties of triheptadecyl phosphite?
triheptadecyl phosphite has a molecular weight of 797.37 g/mol, XLogP of 19.88, 51 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triheptadecyl phosphite is sourced from PubChem (CID 23435031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).