diethyl hexyl phosphite

C10H23O3P — CID 2784165

IUPACdiethyl hexyl phosphite
SMILESCCCCCCOP(OCC)OCC
InChIInChI=1S/C10H23O3P/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h4-10H2,1-3H3
InChIKeyBTSGBVKFEJMBGW-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.88
Rot. Bonds10

About diethyl hexyl phosphite

diethyl hexyl phosphite (PubChem CID 2784165) has the molecular formula C10H23O3P and a molecular weight of 222.26 g/mol. Its IUPAC name is diethyl hexyl phosphite.

Molecular Properties

Compound Namediethyl hexyl phosphite
PubChem CID2784165
Molecular FormulaC10H23O3P
Molecular Weight222.26 g/mol
Exact Mass222.14
IUPAC Namediethyl hexyl phosphite
SMILESCCCCCCOP(OCC)OCC
InChIInChI=1S/C10H23O3P/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h4-10H2,1-3H3
InChIKeyBTSGBVKFEJMBGW-UHFFFAOYSA-N
XLogP3.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of diethyl hexyl phosphite?
The IUPAC name of diethyl hexyl phosphite (CID 2784165) is diethyl hexyl phosphite.
What is the SMILES notation for diethyl hexyl phosphite?
The canonical SMILES for diethyl hexyl phosphite is CCCCCCOP(OCC)OCC.
What is the InChIKey of diethyl hexyl phosphite?
The InChIKey is BTSGBVKFEJMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3P/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h4-10H2,1-3H3.
What are the key properties of diethyl hexyl phosphite?
diethyl hexyl phosphite has a molecular weight of 222.26 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl hexyl phosphite is sourced from PubChem (CID 2784165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).