2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane

C9H16O3 — CID 59715552

IUPAC2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane
SMILESC=C(C)OCC1COC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-7(2)10-5-8-6-11-9(3,4)12-8/h8H,1,5-6H2,2-4H3
InChIKeyOSKXCXOOZAJNHR-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.69
Rot. Bonds3

About 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane

2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane (PubChem CID 59715552) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane
PubChem CID59715552
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane
SMILESC=C(C)OCC1COC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-7(2)10-5-8-6-11-9(3,4)12-8/h8H,1,5-6H2,2-4H3
InChIKeyOSKXCXOOZAJNHR-UHFFFAOYSA-N
XLogP1.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane 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 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane (CID 59715552) is 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane is C=C(C)OCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane?
The InChIKey is OSKXCXOOZAJNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(2)10-5-8-6-11-9(3,4)12-8/h8H,1,5-6H2,2-4H3.
What are the key properties of 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane?
2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane has a molecular weight of 172.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(prop-1-en-2-yloxymethyl)-1,3-dioxolane is sourced from PubChem (CID 59715552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).