(2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene

C11H21O3P — CID 10966369

IUPAC(2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene
SMILESC/C=C(C)/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C11H21O3P/c1-5-11(4)9-8-10-15(12,13-6-2)14-7-3/h5,8-9H,6-7,10H2,1-4H3/b9-8+,11-5+
InChIKeyDELDOTLENOAILT-SXGHKVHISA-N
MW232.26 g/mol
LogP3.77
Rot. Bonds7

About (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene

(2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene (PubChem CID 10966369) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene
PubChem CID10966369
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name(2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene
SMILESC/C=C(C)/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C11H21O3P/c1-5-11(4)9-8-10-15(12,13-6-2)14-7-3/h5,8-9H,6-7,10H2,1-4H3/b9-8+,11-5+
InChIKeyDELDOTLENOAILT-SXGHKVHISA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene?
The IUPAC name of (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene (CID 10966369) is (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene?
The canonical SMILES for (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene is C/C=C(C)/C=C/CP(=O)(OCC)OCC.
What is the InChIKey of (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene?
The InChIKey is DELDOTLENOAILT-SXGHKVHISA-N. The full InChI is InChI=1S/C11H21O3P/c1-5-11(4)9-8-10-15(12,13-6-2)14-7-3/h5,8-9H,6-7,10H2,1-4H3/b9-8+,11-5+.
What are the key properties of (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene?
(2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene has a molecular weight of 232.26 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-diethoxyphosphoryl-4-methylhexa-2,4-diene is sourced from PubChem (CID 10966369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).