1-diethoxyphosphoryl-4-methylpenta-1,2-diene

C10H19O3P — CID 13016164

IUPAC1-diethoxyphosphoryl-4-methylpenta-1,2-diene
SMILESCCOP(=O)(C=C=CC(C)C)OCC
InChIInChI=1S/C10H19O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h8-10H,5-6H2,1-4H3
InChIKeyXQWFTNNZEVTJHZ-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.58
Rot. Bonds6

About 1-diethoxyphosphoryl-4-methylpenta-1,2-diene

1-diethoxyphosphoryl-4-methylpenta-1,2-diene (PubChem CID 13016164) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-4-methylpenta-1,2-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-4-methylpenta-1,2-diene
PubChem CID13016164
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name1-diethoxyphosphoryl-4-methylpenta-1,2-diene
SMILESCCOP(=O)(C=C=CC(C)C)OCC
InChIInChI=1S/C10H19O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h8-10H,5-6H2,1-4H3
InChIKeyXQWFTNNZEVTJHZ-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphoryl-4-methylpenta-1,2-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

Diethyl 3-methyl-1,2-butadienylphosphonate
CID 380886
Diethyl 3-butenylphosphonate
CID 10997850
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene
CID 12843905
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
Diethyl 5-methyl-2,3-hexadien-1-yl phosphate
CID 85822806
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
2-Diethoxyphosphorylbut-1-ene
CID 11844799
(E)-3-methyl-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062970
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-4-methylpenta-1,2-diene?
The IUPAC name of 1-diethoxyphosphoryl-4-methylpenta-1,2-diene (CID 13016164) is 1-diethoxyphosphoryl-4-methylpenta-1,2-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-4-methylpenta-1,2-diene?
The canonical SMILES for 1-diethoxyphosphoryl-4-methylpenta-1,2-diene is CCOP(=O)(C=C=CC(C)C)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-4-methylpenta-1,2-diene?
The InChIKey is XQWFTNNZEVTJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h8-10H,5-6H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-4-methylpenta-1,2-diene?
1-diethoxyphosphoryl-4-methylpenta-1,2-diene has a molecular weight of 218.23 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-4-methylpenta-1,2-diene is sourced from PubChem (CID 13016164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).