(E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene

C11H23O3P — CID 11276370

IUPAC(E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene
SMILESCCOP(=O)(OCC)/C(C)=C/C(C)(C)C
InChIInChI=1S/C11H23O3P/c1-7-13-15(12,14-8-2)10(3)9-11(4,5)6/h9H,7-8H2,1-6H3/b10-9+
InChIKeyOVPNABIZGNAHNC-MDZDMXLPSA-N
MW234.28 g/mol
LogP4.20
Rot. Bonds5

About (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene

(E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene (PubChem CID 11276370) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene
PubChem CID11276370
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name(E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene
SMILESCCOP(=O)(OCC)/C(C)=C/C(C)(C)C
InChIInChI=1S/C11H23O3P/c1-7-13-15(12,14-8-2)10(3)9-11(4,5)6/h9H,7-8H2,1-6H3/b10-9+
InChIKeyOVPNABIZGNAHNC-MDZDMXLPSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 54.20
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

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
1-Diethoxyphosphorylcyclohexene
CID 10560750
Diethoxyphosphorylcyclopentene
CID 10774533
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene
CID 10775488
(E)-4-diethoxyphosphoryloct-4-ene
CID 12160036
2-Diethoxyphosphoryl-3,3-dimethylbut-1-ene
CID 23421664
butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11172316
ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11287176
(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
CID 13165582
(E)-2-diethoxyphosphoryl-4-methylpent-2-ene
CID 13613004
(Z)-2-diethoxyphosphoryl-4-methylpent-2-ene
CID 13613005

Frequently Asked Questions

What is the IUPAC name of (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene?
The IUPAC name of (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene (CID 11276370) is (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene.
What is the SMILES notation for (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene?
The canonical SMILES for (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene is CCOP(=O)(OCC)/C(C)=C/C(C)(C)C.
What is the InChIKey of (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene?
The InChIKey is OVPNABIZGNAHNC-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H23O3P/c1-7-13-15(12,14-8-2)10(3)9-11(4,5)6/h9H,7-8H2,1-6H3/b10-9+.
What are the key properties of (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene?
(E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene has a molecular weight of 234.28 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diethoxyphosphoryl-4,4-dimethylpent-2-ene is sourced from PubChem (CID 11276370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).