4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane

C7H15O3P — CID 152581779

IUPAC4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane
SMILESCCCOP1OC(C)C(C)O1
InChIInChI=1S/C7H15O3P/c1-4-5-8-11-9-6(2)7(3)10-11/h6-7H,4-5H2,1-3H3
InChIKeyYTQAGMLSFKHPJH-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.46
Rot. Bonds3

About 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane

4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane (PubChem CID 152581779) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane
PubChem CID152581779
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Name4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane
SMILESCCCOP1OC(C)C(C)O1
InChIInChI=1S/C7H15O3P/c1-4-5-8-11-9-6(2)7(3)10-11/h6-7H,4-5H2,1-3H3
InChIKeyYTQAGMLSFKHPJH-UHFFFAOYSA-N
XLogP2.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane 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 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane?
The IUPAC name of 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane (CID 152581779) is 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane.
What is the SMILES notation for 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane?
The canonical SMILES for 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane is CCCOP1OC(C)C(C)O1.
What is the InChIKey of 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane?
The InChIKey is YTQAGMLSFKHPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-4-5-8-11-9-6(2)7(3)10-11/h6-7H,4-5H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane?
4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane has a molecular weight of 178.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propoxy-1,3,2-dioxaphospholane is sourced from PubChem (CID 152581779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).