(E)-1-diethoxyphosphorylbut-1-ene

C8H17O3P — CID 12530541

IUPAC(E)-1-diethoxyphosphorylbut-1-ene
SMILESCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h7-8H,4-6H2,1-3H3/b8-7+
InChIKeyKSTYTXAJJAFEMN-BQYQJAHWSA-N
MW192.19 g/mol
LogP3.18
Rot. Bonds6

About (E)-1-diethoxyphosphorylbut-1-ene

(E)-1-diethoxyphosphorylbut-1-ene (PubChem CID 12530541) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is (E)-1-diethoxyphosphorylbut-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphorylbut-1-ene
PubChem CID12530541
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name(E)-1-diethoxyphosphorylbut-1-ene
SMILESCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h7-8H,4-6H2,1-3H3/b8-7+
InChIKeyKSTYTXAJJAFEMN-BQYQJAHWSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 53.18
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
Diethyl 3-butenylphosphonate
CID 10997850
Phosphinic acid, diallyl-, isopropyl ester
CID 120310
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
(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene
CID 11042014
1,4-Bis(diethoxy-phosphinyl)-2-butene
CID 280285

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphorylbut-1-ene?
The IUPAC name of (E)-1-diethoxyphosphorylbut-1-ene (CID 12530541) is (E)-1-diethoxyphosphorylbut-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphorylbut-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphorylbut-1-ene is CC/C=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphorylbut-1-ene?
The InChIKey is KSTYTXAJJAFEMN-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h7-8H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-1-diethoxyphosphorylbut-1-ene?
(E)-1-diethoxyphosphorylbut-1-ene has a molecular weight of 192.19 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphorylbut-1-ene is sourced from PubChem (CID 12530541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).