2-diethoxyphosphoryl-4-methylpent-1-ene

C10H21O3P — CID 10976975

IUPAC2-diethoxyphosphoryl-4-methylpent-1-ene
SMILESC=C(CC(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-6-12-14(11,13-7-2)10(5)8-9(3)4/h9H,5-8H2,1-4H3
InChIKeyMNHFAPDDAUCRKA-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.81
Rot. Bonds7

About 2-diethoxyphosphoryl-4-methylpent-1-ene

2-diethoxyphosphoryl-4-methylpent-1-ene (PubChem CID 10976975) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-4-methylpent-1-ene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-4-methylpent-1-ene
PubChem CID10976975
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name2-diethoxyphosphoryl-4-methylpent-1-ene
SMILESC=C(CC(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-6-12-14(11,13-7-2)10(5)8-9(3)4/h9H,5-8H2,1-4H3
InChIKeyMNHFAPDDAUCRKA-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-diethoxyphosphoryl-4-methylpent-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-4-methylpent-1-ene?
The IUPAC name of 2-diethoxyphosphoryl-4-methylpent-1-ene (CID 10976975) is 2-diethoxyphosphoryl-4-methylpent-1-ene.
What is the SMILES notation for 2-diethoxyphosphoryl-4-methylpent-1-ene?
The canonical SMILES for 2-diethoxyphosphoryl-4-methylpent-1-ene is C=C(CC(C)C)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-4-methylpent-1-ene?
The InChIKey is MNHFAPDDAUCRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-6-12-14(11,13-7-2)10(5)8-9(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-4-methylpent-1-ene?
2-diethoxyphosphoryl-4-methylpent-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-4-methylpent-1-ene is sourced from PubChem (CID 10976975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).