(E)-1-diethoxyphosphorylpent-1-ene

C9H19O3P — CID 11041909

IUPAC(E)-1-diethoxyphosphorylpent-1-ene
SMILESCCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C9H19O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h8-9H,4-7H2,1-3H3/b9-8+
InChIKeyQYVKJAZJWBEBJW-CMDGGOBGSA-N
MW206.22 g/mol
LogP3.57
Rot. Bonds7

About (E)-1-diethoxyphosphorylpent-1-ene

(E)-1-diethoxyphosphorylpent-1-ene (PubChem CID 11041909) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is (E)-1-diethoxyphosphorylpent-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphorylpent-1-ene
PubChem CID11041909
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name(E)-1-diethoxyphosphorylpent-1-ene
SMILESCCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C9H19O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h8-9H,4-7H2,1-3H3/b9-8+
InChIKeyQYVKJAZJWBEBJW-CMDGGOBGSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphinic acid, diallyl-, propyl ester
CID 120311
Phosphinic acid, diallyl-, ethyl ester
CID 120374
Diethyl allylphosphonate
CID 573014
Diethyl 2-butenylphosphonate, predominantly trans
CID 10943314
1-Ethoxy-2,3-dihydro-1H-1lambda~5~-phosphol-1-one
CID 120335
Phosphonic acid, allyl-, dibutyl ester
CID 199692
2-Phospholene, 1-propoxy-, 1-oxide
CID 204465
Phosphonic acid, propyl-, diallyl ester
CID 3056462
Diethyl 3-butenylphosphonate
CID 10997850
Diethyl (1E)-prop-1-en-1-ylphosphonate
CID 5702572
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphorylpent-1-ene?
The IUPAC name of (E)-1-diethoxyphosphorylpent-1-ene (CID 11041909) is (E)-1-diethoxyphosphorylpent-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphorylpent-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphorylpent-1-ene is CCC/C=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphorylpent-1-ene?
The InChIKey is QYVKJAZJWBEBJW-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h8-9H,4-7H2,1-3H3/b9-8+.
What are the key properties of (E)-1-diethoxyphosphorylpent-1-ene?
(E)-1-diethoxyphosphorylpent-1-ene has a molecular weight of 206.22 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphorylpent-1-ene is sourced from PubChem (CID 11041909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).