5-diethoxyphosphoryl-2-methylpent-2-ene

C10H21O3P — CID 11195358

IUPAC5-diethoxyphosphoryl-2-methylpent-2-ene
SMILESCCOP(=O)(CCC=C(C)C)OCC
InChIInChI=1S/C10H21O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h8H,5-7,9H2,1-4H3
InChIKeyLSXPUQFMKVWEEH-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.61
Rot. Bonds7

About 5-diethoxyphosphoryl-2-methylpent-2-ene

5-diethoxyphosphoryl-2-methylpent-2-ene (PubChem CID 11195358) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-2-methylpent-2-ene.

Molecular Properties

Compound Name5-diethoxyphosphoryl-2-methylpent-2-ene
PubChem CID11195358
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name5-diethoxyphosphoryl-2-methylpent-2-ene
SMILESCCOP(=O)(CCC=C(C)C)OCC
InChIInChI=1S/C10H21O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h8H,5-7,9H2,1-4H3
InChIKeyLSXPUQFMKVWEEH-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-2-methylpent-2-ene?
The IUPAC name of 5-diethoxyphosphoryl-2-methylpent-2-ene (CID 11195358) is 5-diethoxyphosphoryl-2-methylpent-2-ene.
What is the SMILES notation for 5-diethoxyphosphoryl-2-methylpent-2-ene?
The canonical SMILES for 5-diethoxyphosphoryl-2-methylpent-2-ene is CCOP(=O)(CCC=C(C)C)OCC.
What is the InChIKey of 5-diethoxyphosphoryl-2-methylpent-2-ene?
The InChIKey is LSXPUQFMKVWEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h8H,5-7,9H2,1-4H3.
What are the key properties of 5-diethoxyphosphoryl-2-methylpent-2-ene?
5-diethoxyphosphoryl-2-methylpent-2-ene has a molecular weight of 220.25 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-2-methylpent-2-ene is sourced from PubChem (CID 11195358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).