1-diethoxyphosphoryl-4-methylpenta-2,3-diene

C10H19O3P — CID 12534452

IUPAC1-diethoxyphosphoryl-4-methylpenta-2,3-diene
SMILESCCOP(=O)(CC=C=C(C)C)OCC
InChIInChI=1S/C10H19O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h7H,5-6,9H2,1-4H3
InChIKeyWNAMZKCDHDGBKD-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.37
Rot. Bonds6

About 1-diethoxyphosphoryl-4-methylpenta-2,3-diene

1-diethoxyphosphoryl-4-methylpenta-2,3-diene (PubChem CID 12534452) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-4-methylpenta-2,3-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-4-methylpenta-2,3-diene
PubChem CID12534452
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name1-diethoxyphosphoryl-4-methylpenta-2,3-diene
SMILESCCOP(=O)(CC=C=C(C)C)OCC
InChIInChI=1S/C10H19O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h7H,5-6,9H2,1-4H3
InChIKeyWNAMZKCDHDGBKD-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-4-methylpenta-2,3-diene?
The IUPAC name of 1-diethoxyphosphoryl-4-methylpenta-2,3-diene (CID 12534452) is 1-diethoxyphosphoryl-4-methylpenta-2,3-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-4-methylpenta-2,3-diene?
The canonical SMILES for 1-diethoxyphosphoryl-4-methylpenta-2,3-diene is CCOP(=O)(CC=C=C(C)C)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-4-methylpenta-2,3-diene?
The InChIKey is WNAMZKCDHDGBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h7H,5-6,9H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-4-methylpenta-2,3-diene?
1-diethoxyphosphoryl-4-methylpenta-2,3-diene has a molecular weight of 218.23 g/mol, XLogP of 3.37, 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-2,3-diene is sourced from PubChem (CID 12534452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).