diethyl penta-2,3-dienyl phosphate

C9H17O4P — CID 13215358

IUPACdiethyl penta-2,3-dienyl phosphate
SMILESCC=C=CCOP(=O)(OCC)OCC
InChIInChI=1S/C9H17O4P/c1-4-7-8-9-13-14(10,11-5-2)12-6-3/h4,8H,5-6,9H2,1-3H3
InChIKeyABBZSHMKWCLYAN-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.92
Rot. Bonds7

About diethyl penta-2,3-dienyl phosphate

diethyl penta-2,3-dienyl phosphate (PubChem CID 13215358) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is diethyl penta-2,3-dienyl phosphate.

Molecular Properties

Compound Namediethyl penta-2,3-dienyl phosphate
PubChem CID13215358
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Namediethyl penta-2,3-dienyl phosphate
SMILESCC=C=CCOP(=O)(OCC)OCC
InChIInChI=1S/C9H17O4P/c1-4-7-8-9-13-14(10,11-5-2)12-6-3/h4,8H,5-6,9H2,1-3H3
InChIKeyABBZSHMKWCLYAN-UHFFFAOYSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Triallyl phosphate
CID 15390
Phosphoric acid, tris(2-methylallyl)-
CID 95951
Diethyl 2-propen-1-yl phosphate
CID 229774
Phosphoric acid, dimethyl 2-propenyl ester
CID 573628
1,1-Bis(diethoxyphosphoryl)prop-1-ene
CID 10245096
5,5-Dimethylhexa-2,3-dienyl diethyl phosphate
CID 11242468
[Ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate
CID 14086645
[Prop-2-enoxy(propoxy)phosphoryl] prop-2-enyl propyl phosphate
CID 14086646
[Butoxy(prop-2-enoxy)phosphoryl] butyl prop-2-enyl phosphate
CID 14086647
[2-Methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate
CID 14086648
Diethoxyphosphoryl ethyl prop-2-enyl phosphate
CID 14086656
Dipropoxyphosphoryl prop-2-enyl propyl phosphate
CID 14086657

Frequently Asked Questions

What is the IUPAC name of diethyl penta-2,3-dienyl phosphate?
The IUPAC name of diethyl penta-2,3-dienyl phosphate (CID 13215358) is diethyl penta-2,3-dienyl phosphate.
What is the SMILES notation for diethyl penta-2,3-dienyl phosphate?
The canonical SMILES for diethyl penta-2,3-dienyl phosphate is CC=C=CCOP(=O)(OCC)OCC.
What is the InChIKey of diethyl penta-2,3-dienyl phosphate?
The InChIKey is ABBZSHMKWCLYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-4-7-8-9-13-14(10,11-5-2)12-6-3/h4,8H,5-6,9H2,1-3H3.
What are the key properties of diethyl penta-2,3-dienyl phosphate?
diethyl penta-2,3-dienyl phosphate has a molecular weight of 220.20 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl penta-2,3-dienyl phosphate is sourced from PubChem (CID 13215358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).