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

C10H19O3P — CID 12525104

IUPAC1-diethoxyphosphoryl-3-methylpenta-1,2-diene
SMILESCCOP(=O)(C=C=C(C)CC)OCC
InChIInChI=1S/C10H19O3P/c1-5-10(4)8-9-14(11,12-6-2)13-7-3/h9H,5-7H2,1-4H3
InChIKeyFPNYTCLMOFTVFN-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.72
Rot. Bonds6

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

1-diethoxyphosphoryl-3-methylpenta-1,2-diene (PubChem CID 12525104) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-3-methylpenta-1,2-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-3-methylpenta-1,2-diene
PubChem CID12525104
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name1-diethoxyphosphoryl-3-methylpenta-1,2-diene
SMILESCCOP(=O)(C=C=C(C)CC)OCC
InChIInChI=1S/C10H19O3P/c1-5-10(4)8-9-14(11,12-6-2)13-7-3/h9H,5-7H2,1-4H3
InChIKeyFPNYTCLMOFTVFN-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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-3-methylpenta-1,2-diene?
The IUPAC name of 1-diethoxyphosphoryl-3-methylpenta-1,2-diene (CID 12525104) is 1-diethoxyphosphoryl-3-methylpenta-1,2-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-3-methylpenta-1,2-diene?
The canonical SMILES for 1-diethoxyphosphoryl-3-methylpenta-1,2-diene is CCOP(=O)(C=C=C(C)CC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-3-methylpenta-1,2-diene?
The InChIKey is FPNYTCLMOFTVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-5-10(4)8-9-14(11,12-6-2)13-7-3/h9H,5-7H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-3-methylpenta-1,2-diene?
1-diethoxyphosphoryl-3-methylpenta-1,2-diene has a molecular weight of 218.23 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-3-methylpenta-1,2-diene is sourced from PubChem (CID 12525104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).