3-diethoxyphosphoryl-4-methylpenta-1,3-diene

C10H19O3P — CID 11106827

IUPAC3-diethoxyphosphoryl-4-methylpenta-1,3-diene
SMILESC=CC(=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-6-10(9(4)5)14(11,12-7-2)13-8-3/h6H,1,7-8H2,2-5H3
InChIKeyIQEBKZPFDXHVQV-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.73
Rot. Bonds6

About 3-diethoxyphosphoryl-4-methylpenta-1,3-diene

3-diethoxyphosphoryl-4-methylpenta-1,3-diene (PubChem CID 11106827) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-4-methylpenta-1,3-diene
PubChem CID11106827
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name3-diethoxyphosphoryl-4-methylpenta-1,3-diene
SMILESC=CC(=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-6-10(9(4)5)14(11,12-7-2)13-8-3/h6H,1,7-8H2,2-5H3
InChIKeyIQEBKZPFDXHVQV-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.73
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'}

Analyze 3-diethoxyphosphoryl-4-methylpenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
Diethyl (3-methylbut-2-en-1-yl)phosphonate
CID 11106521
Diethyl (5-methylhexa-1,3,4-trien-3-yl)phosphonate
CID 12520739
(E)-1-diethoxyphosphoryl-2-methylbut-2-ene
CID 60075838
(2E,4E)-1-diethoxyphosphorylhexa-2,4-diene
CID 11816810
Dimethyl (5-methylhexa-1,3,4-trien-3-yl)phosphonate
CID 12512930
1-Diethoxyphosphoryl-4-methylpenta-2,3-diene
CID 12534452
(3E)-3-diethoxyphosphorylpenta-1,3-diene
CID 134917669
(3E)-3-diethoxyphosphoryl-4,5-dimethylhexa-1,3-diene
CID 134917811
CID 134965112
CID 134965112
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
CID 134988838
(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene
CID 11254278

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-4-methylpenta-1,3-diene?
The IUPAC name of 3-diethoxyphosphoryl-4-methylpenta-1,3-diene (CID 11106827) is 3-diethoxyphosphoryl-4-methylpenta-1,3-diene.
What is the SMILES notation for 3-diethoxyphosphoryl-4-methylpenta-1,3-diene?
The canonical SMILES for 3-diethoxyphosphoryl-4-methylpenta-1,3-diene is C=CC(=C(C)C)P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-4-methylpenta-1,3-diene?
The InChIKey is IQEBKZPFDXHVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-6-10(9(4)5)14(11,12-7-2)13-8-3/h6H,1,7-8H2,2-5H3.
What are the key properties of 3-diethoxyphosphoryl-4-methylpenta-1,3-diene?
3-diethoxyphosphoryl-4-methylpenta-1,3-diene has a molecular weight of 218.23 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-4-methylpenta-1,3-diene is sourced from PubChem (CID 11106827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).