(E)-1-diethoxyphosphoryl-2-methylbut-1-ene

C9H19O3P — CID 134894960

IUPAC(E)-1-diethoxyphosphoryl-2-methylbut-1-ene
SMILESCCOP(=O)(/C=C(\C)CC)OCC
InChIInChI=1S/C9H19O3P/c1-5-9(4)8-13(10,11-6-2)12-7-3/h8H,5-7H2,1-4H3/b9-8+
InChIKeyVJXZYNPQTRJANK-CMDGGOBGSA-N
MW206.22 g/mol
LogP3.57
Rot. Bonds6

About (E)-1-diethoxyphosphoryl-2-methylbut-1-ene

(E)-1-diethoxyphosphoryl-2-methylbut-1-ene (PubChem CID 134894960) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-2-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-2-methylbut-1-ene
PubChem CID134894960
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name(E)-1-diethoxyphosphoryl-2-methylbut-1-ene
SMILESCCOP(=O)(/C=C(\C)CC)OCC
InChIInChI=1S/C9H19O3P/c1-5-9(4)8-13(10,11-6-2)12-7-3/h8H,5-7H2,1-4H3/b9-8+
InChIKeyVJXZYNPQTRJANK-CMDGGOBGSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

Diethyl (2-methylallyl)phosphonate
CID 11008747
Diethyl 3-methyl-1,2-butadienylphosphonate
CID 380886
Diethyl 3-butenylphosphonate
CID 10997850
1-Butoxy-4-methyl-2,3-dihydro-1lambda5-phosphole 1-oxide
CID 312437
Diethyl (3-methylbut-2-en-1-yl)phosphonate
CID 11106521
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
Diethoxyphosphorylmethylidenecyclohexane
CID 12860450
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
2-Diethoxyphosphorylbut-1-ene
CID 11844799
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541
Diethyl (2-methylprop-1-en-1-yl)phosphonate
CID 13814071

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-2-methylbut-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-2-methylbut-1-ene (CID 134894960) is (E)-1-diethoxyphosphoryl-2-methylbut-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-2-methylbut-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-2-methylbut-1-ene is CCOP(=O)(/C=C(\C)CC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-2-methylbut-1-ene?
The InChIKey is VJXZYNPQTRJANK-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19O3P/c1-5-9(4)8-13(10,11-6-2)12-7-3/h8H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-1-diethoxyphosphoryl-2-methylbut-1-ene?
(E)-1-diethoxyphosphoryl-2-methylbut-1-ene has a molecular weight of 206.22 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-2-methylbut-1-ene is sourced from PubChem (CID 134894960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).