4-hydroxybutyl tridecyl hydrogen phosphite

C17H37O4P — CID 154235409

IUPAC4-hydroxybutyl tridecyl hydrogen phosphite
SMILESCCCCCCCCCCCCCOP(O)OCCCCO
InChIInChI=1S/C17H37O4P/c1-2-3-4-5-6-7-8-9-10-11-13-16-20-22(19)21-17-14-12-15-18/h18-19H,2-17H2,1H3
InChIKeyYFBTUCIZGCYESC-UHFFFAOYSA-N
MW336.45 g/mol
LogP5.32
Rot. Bonds18

About 4-hydroxybutyl tridecyl hydrogen phosphite

4-hydroxybutyl tridecyl hydrogen phosphite (PubChem CID 154235409) has the molecular formula C17H37O4P and a molecular weight of 336.45 g/mol. Its IUPAC name is 4-hydroxybutyl tridecyl hydrogen phosphite.

Molecular Properties

Compound Name4-hydroxybutyl tridecyl hydrogen phosphite
PubChem CID154235409
Molecular FormulaC17H37O4P
Molecular Weight336.45 g/mol
Exact Mass336.24
IUPAC Name4-hydroxybutyl tridecyl hydrogen phosphite
SMILESCCCCCCCCCCCCCOP(O)OCCCCO
InChIInChI=1S/C17H37O4P/c1-2-3-4-5-6-7-8-9-10-11-13-16-20-22(19)21-17-14-12-15-18/h18-19H,2-17H2,1H3
InChIKeyYFBTUCIZGCYESC-UHFFFAOYSA-N
XLogP5.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
propyl tetradecyl hydrogen phosphite
CID 121403997
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
dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite
CID 87479018
9-nonoxynonan-1-ol
CID 57318642
5-octoxypentan-1-ol
CID 22407981
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
sodium;dodecan-1-ol;hydride
CID 173039865

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl tridecyl hydrogen phosphite?
The IUPAC name of 4-hydroxybutyl tridecyl hydrogen phosphite (CID 154235409) is 4-hydroxybutyl tridecyl hydrogen phosphite.
What is the SMILES notation for 4-hydroxybutyl tridecyl hydrogen phosphite?
The canonical SMILES for 4-hydroxybutyl tridecyl hydrogen phosphite is CCCCCCCCCCCCCOP(O)OCCCCO.
What is the InChIKey of 4-hydroxybutyl tridecyl hydrogen phosphite?
The InChIKey is YFBTUCIZGCYESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37O4P/c1-2-3-4-5-6-7-8-9-10-11-13-16-20-22(19)21-17-14-12-15-18/h18-19H,2-17H2,1H3.
What are the key properties of 4-hydroxybutyl tridecyl hydrogen phosphite?
4-hydroxybutyl tridecyl hydrogen phosphite has a molecular weight of 336.45 g/mol, XLogP of 5.32, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl tridecyl hydrogen phosphite is sourced from PubChem (CID 154235409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).