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

C10H21O3P — CID 11790710

IUPAC(E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene
SMILESCCOP(=O)(/C=C/C(C)(C)C)OCC
InChIInChI=1S/C10H21O3P/c1-6-12-14(11,13-7-2)9-8-10(3,4)5/h8-9H,6-7H2,1-5H3/b9-8+
InChIKeyNEAGKPIPOGMNRR-CMDGGOBGSA-N
MW220.25 g/mol
LogP3.81
Rot. Bonds5

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

(E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene (PubChem CID 11790710) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene
PubChem CID11790710
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name(E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene
SMILESCCOP(=O)(/C=C/C(C)(C)C)OCC
InChIInChI=1S/C10H21O3P/c1-6-12-14(11,13-7-2)9-8-10(3,4)5/h8-9H,6-7H2,1-5H3/b9-8+
InChIKeyNEAGKPIPOGMNRR-CMDGGOBGSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
6-Diethoxyphosphorylhex-1-ene
CID 10466042
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5,5-Dimethylhexa-2,3-dienyl diethyl phosphate
CID 11242468
5-Diethoxyphosphorylhex-1-ene
CID 85795847
4,4-Bis(diethoxyphosphoryl)but-1-ene
CID 11067413
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541
1-Diethoxyphosphorylbut-1-ene
CID 23280731

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene (CID 11790710) is (E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene is CCOP(=O)(/C=C/C(C)(C)C)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene?
The InChIKey is NEAGKPIPOGMNRR-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H21O3P/c1-6-12-14(11,13-7-2)9-8-10(3,4)5/h8-9H,6-7H2,1-5H3/b9-8+.
What are the key properties of (E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene?
(E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-ene is sourced from PubChem (CID 11790710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).