3-diethylphosphorylprop-1-ene

C7H15OP — CID 13431646

IUPAC3-diethylphosphorylprop-1-ene
SMILESC=CCP(=O)(CC)CC
InChIInChI=1S/C7H15OP/c1-4-7-9(8,5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyRJTRHDDFZRZAJQ-UHFFFAOYSA-N
MW146.17 g/mol
LogP2.58
Rot. Bonds4

About 3-diethylphosphorylprop-1-ene

3-diethylphosphorylprop-1-ene (PubChem CID 13431646) has the molecular formula C7H15OP and a molecular weight of 146.17 g/mol. Its IUPAC name is 3-diethylphosphorylprop-1-ene.

Molecular Properties

Compound Name3-diethylphosphorylprop-1-ene
PubChem CID13431646
Molecular FormulaC7H15OP
Molecular Weight146.17 g/mol
Exact Mass146.09
IUPAC Name3-diethylphosphorylprop-1-ene
SMILESC=CCP(=O)(CC)CC
InChIInChI=1S/C7H15OP/c1-4-7-9(8,5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyRJTRHDDFZRZAJQ-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-diethylphosphorylprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;ethanol;prop-2-enylphosphonic acid
CID 174385438
3-[prop-2-enyl(propyl)phosphoryl]propanenitrile
CID 164992982
3-diethoxyphosphorylprop-1-ene
CID 573014
acetylene;prop-2-enylphosphonic acid
CID 175361195
1,2-bis(diethylphosphoryl)ethane
CID 22892167
ethoxy(prop-2-enyl)phosphinate
CID 71365133
bis(prop-2-enyl)phosphinic acid;hydrochloride
CID 88719612
3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
CID 174369495
dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
CID 87403767
2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid
CID 87825468
1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane
CID 54567675
1-[heptoxy(prop-2-enyl)phosphoryl]oxyheptane
CID 176894700

Frequently Asked Questions

What is the IUPAC name of 3-diethylphosphorylprop-1-ene?
The IUPAC name of 3-diethylphosphorylprop-1-ene (CID 13431646) is 3-diethylphosphorylprop-1-ene.
What is the SMILES notation for 3-diethylphosphorylprop-1-ene?
The canonical SMILES for 3-diethylphosphorylprop-1-ene is C=CCP(=O)(CC)CC.
What is the InChIKey of 3-diethylphosphorylprop-1-ene?
The InChIKey is RJTRHDDFZRZAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15OP/c1-4-7-9(8,5-2)6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of 3-diethylphosphorylprop-1-ene?
3-diethylphosphorylprop-1-ene has a molecular weight of 146.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethylphosphorylprop-1-ene is sourced from PubChem (CID 13431646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).