propyl tetradecyl hydrogen phosphite

C17H37O3P — CID 121403997

IUPACpropyl tetradecyl hydrogen phosphite
SMILESCCCCCCCCCCCCCCOP(O)OCCC
InChIInChI=1S/C17H37O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(18)19-16-4-2/h18H,3-17H2,1-2H3
InChIKeyLUDZNSYVABYULG-UHFFFAOYSA-N
MW320.45 g/mol
LogP6.35
Rot. Bonds17

About propyl tetradecyl hydrogen phosphite

propyl tetradecyl hydrogen phosphite (PubChem CID 121403997) has the molecular formula C17H37O3P and a molecular weight of 320.45 g/mol. Its IUPAC name is propyl tetradecyl hydrogen phosphite.

Molecular Properties

Compound Namepropyl tetradecyl hydrogen phosphite
PubChem CID121403997
Molecular FormulaC17H37O3P
Molecular Weight320.45 g/mol
Exact Mass320.25
IUPAC Namepropyl tetradecyl hydrogen phosphite
SMILESCCCCCCCCCCCCCCOP(O)OCCC
InChIInChI=1S/C17H37O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(18)19-16-4-2/h18H,3-17H2,1-2H3
InChIKeyLUDZNSYVABYULG-UHFFFAOYSA-N
XLogP6.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.45
LogP ≤ 56.35
H-Bond Donors ≤ 51
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

didecyl hydrogen phosphite
CID 14151265
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
CID 87482236
hexyl methyl hydrogen phosphite
CID 22731198
didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane
CID 159134854
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
azane;hexyl dihydrogen phosphite
CID 173357133
dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite
CID 87479018
pentadecoxyphosphonamidous acid
CID 149252404
disodium;hexyl phosphite
CID 139691830
pentyl dihydrogen phosphite;zinc
CID 88839337

Frequently Asked Questions

What is the IUPAC name of propyl tetradecyl hydrogen phosphite?
The IUPAC name of propyl tetradecyl hydrogen phosphite (CID 121403997) is propyl tetradecyl hydrogen phosphite.
What is the SMILES notation for propyl tetradecyl hydrogen phosphite?
The canonical SMILES for propyl tetradecyl hydrogen phosphite is CCCCCCCCCCCCCCOP(O)OCCC.
What is the InChIKey of propyl tetradecyl hydrogen phosphite?
The InChIKey is LUDZNSYVABYULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(18)19-16-4-2/h18H,3-17H2,1-2H3.
What are the key properties of propyl tetradecyl hydrogen phosphite?
propyl tetradecyl hydrogen phosphite has a molecular weight of 320.45 g/mol, XLogP of 6.35, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl tetradecyl hydrogen phosphite is sourced from PubChem (CID 121403997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).