lithium dioctyl phosphite

C16H34LiO3P — CID 174541245

IUPAClithium dioctyl phosphite
SMILESCCCCCCCCOP([O-])OCCCCCCCC.[Li+]
InChIInChI=1S/C16H34O3P.Li/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q-1;+1
InChIKeyXQENTGBQHKBWAK-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.33
Rot. Bonds16

About lithium dioctyl phosphite

lithium dioctyl phosphite (PubChem CID 174541245) has the molecular formula C16H34LiO3P and a molecular weight of 312.36 g/mol. Its IUPAC name is lithium dioctyl phosphite.

Molecular Properties

Compound Namelithium dioctyl phosphite
PubChem CID174541245
Molecular FormulaC16H34LiO3P
Molecular Weight312.36 g/mol
Exact Mass312.24
IUPAC Namelithium dioctyl phosphite
SMILESCCCCCCCCOP([O-])OCCCCCCCC.[Li+]
InChIInChI=1S/C16H34O3P.Li/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q-1;+1
InChIKeyXQENTGBQHKBWAK-UHFFFAOYSA-N
XLogP2.33
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.33
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

tetrakis(ditridecyl phosphite);titanium(4+)
CID 160640114
sodium didodecyl phosphite
CID 23710886
disodium;hexyl phosphite
CID 139691830
butyl methyl phosphite
CID 21328235
triheptadecyl phosphite
CID 23435031
bis(ditridecyl phosphite);hydron;tris(2-methylprop-2-en-1-olate);propan-2-olate;titanium(4+)
CID 165361150
tris(dipropyl phosphite);indium(3+)
CID 23460130
diethyl(hexoxy)phosphane
CID 87283104
decoxy(octoxy)phosphinothious acid
CID 54152589
chloro(didodecoxy)phosphane
CID 54405346
didecyl hydrogen phosphite
CID 14151265
didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)
CID 170844744

Frequently Asked Questions

What is the IUPAC name of lithium dioctyl phosphite?
The IUPAC name of lithium dioctyl phosphite (CID 174541245) is lithium dioctyl phosphite.
What is the SMILES notation for lithium dioctyl phosphite?
The canonical SMILES for lithium dioctyl phosphite is CCCCCCCCOP([O-])OCCCCCCCC.[Li+].
What is the InChIKey of lithium dioctyl phosphite?
The InChIKey is XQENTGBQHKBWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3P.Li/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q-1;+1.
What are the key properties of lithium dioctyl phosphite?
lithium dioctyl phosphite has a molecular weight of 312.36 g/mol, XLogP of 2.33, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium dioctyl phosphite is sourced from PubChem (CID 174541245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).