but-3-enyl diethyl phosphite

C8H17O3P — CID 15668370

IUPACbut-3-enyl diethyl phosphite
SMILESC=CCCOP(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-11-12(9-5-2)10-6-3/h4H,1,5-8H2,2-3H3
InChIKeyITTTYMHPWWWPHY-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.88
Rot. Bonds8

About but-3-enyl diethyl phosphite

but-3-enyl diethyl phosphite (PubChem CID 15668370) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is but-3-enyl diethyl phosphite.

Molecular Properties

Compound Namebut-3-enyl diethyl phosphite
PubChem CID15668370
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Namebut-3-enyl diethyl phosphite
SMILESC=CCCOP(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-11-12(9-5-2)10-6-3/h4H,1,5-8H2,2-3H3
InChIKeyITTTYMHPWWWPHY-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl diethyl phosphite?
The IUPAC name of but-3-enyl diethyl phosphite (CID 15668370) is but-3-enyl diethyl phosphite.
What is the SMILES notation for but-3-enyl diethyl phosphite?
The canonical SMILES for but-3-enyl diethyl phosphite is C=CCCOP(OCC)OCC.
What is the InChIKey of but-3-enyl diethyl phosphite?
The InChIKey is ITTTYMHPWWWPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-4-7-8-11-12(9-5-2)10-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of but-3-enyl diethyl phosphite?
but-3-enyl diethyl phosphite has a molecular weight of 192.19 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl diethyl phosphite is sourced from PubChem (CID 15668370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).