(E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene

C10H21O3P — CID 134877967

IUPAC(E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene
SMILESCCOP(=O)(/C=C(\C)C(C)C)OCC
InChIInChI=1S/C10H21O3P/c1-6-12-14(11,13-7-2)8-10(5)9(3)4/h8-9H,6-7H2,1-5H3/b10-8+
InChIKeyOEONFXQJPWMTQE-CSKARUKUSA-N
MW220.25 g/mol
LogP3.81
Rot. Bonds6

About (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene

(E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene (PubChem CID 134877967) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene
PubChem CID134877967
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name(E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene
SMILESCCOP(=O)(/C=C(\C)C(C)C)OCC
InChIInChI=1S/C10H21O3P/c1-6-12-14(11,13-7-2)8-10(5)9(3)4/h8-9H,6-7H2,1-5H3/b10-8+
InChIKeyOEONFXQJPWMTQE-CSKARUKUSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.81
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 (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene (CID 134877967) is (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene is CCOP(=O)(/C=C(\C)C(C)C)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene?
The InChIKey is OEONFXQJPWMTQE-CSKARUKUSA-N. The full InChI is InChI=1S/C10H21O3P/c1-6-12-14(11,13-7-2)8-10(5)9(3)4/h8-9H,6-7H2,1-5H3/b10-8+.
What are the key properties of (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene?
(E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene is sourced from PubChem (CID 134877967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).