(Z)-1-diethoxyphosphoryl-3-methylbut-1-ene

C9H19O3P — CID 13291222

IUPAC(Z)-1-diethoxyphosphoryl-3-methylbut-1-ene
SMILESCCOP(=O)(/C=C\C(C)C)OCC
InChIInChI=1S/C9H19O3P/c1-5-11-13(10,12-6-2)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7-
InChIKeyWGXWDHJJQNBTTJ-FPLPWBNLSA-N
MW206.22 g/mol
LogP3.42
Rot. Bonds6

About (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene

(Z)-1-diethoxyphosphoryl-3-methylbut-1-ene (PubChem CID 13291222) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphoryl-3-methylbut-1-ene
PubChem CID13291222
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name(Z)-1-diethoxyphosphoryl-3-methylbut-1-ene
SMILESCCOP(=O)(/C=C\C(C)C)OCC
InChIInChI=1S/C9H19O3P/c1-5-11-13(10,12-6-2)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7-
InChIKeyWGXWDHJJQNBTTJ-FPLPWBNLSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene?
The IUPAC name of (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene (CID 13291222) is (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene?
The canonical SMILES for (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene is CCOP(=O)(/C=C\C(C)C)OCC.
What is the InChIKey of (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene?
The InChIKey is WGXWDHJJQNBTTJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H19O3P/c1-5-11-13(10,12-6-2)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7-.
What are the key properties of (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene?
(Z)-1-diethoxyphosphoryl-3-methylbut-1-ene has a molecular weight of 206.22 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphoryl-3-methylbut-1-ene is sourced from PubChem (CID 13291222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).