2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane

C9H16O2 — CID 69112241

IUPAC2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane
SMILESCC=C(C)C1(C)OCC(C)O1
InChIInChI=1S/C9H16O2/c1-5-7(2)9(4)10-6-8(3)11-9/h5,8H,6H2,1-4H3
InChIKeyHULXBEUJTWSAEN-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds1

About 2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane

2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane (PubChem CID 69112241) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane
PubChem CID69112241
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane
SMILESCC=C(C)C1(C)OCC(C)O1
InChIInChI=1S/C9H16O2/c1-5-7(2)9(4)10-6-8(3)11-9/h5,8H,6H2,1-4H3
InChIKeyHULXBEUJTWSAEN-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-but-2-en-2-yl-2,4-dimethyl-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-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane?
The IUPAC name of 2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane (CID 69112241) is 2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane.
What is the SMILES notation for 2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane?
The canonical SMILES for 2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane is CC=C(C)C1(C)OCC(C)O1.
What is the InChIKey of 2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane?
The InChIKey is HULXBEUJTWSAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-7(2)9(4)10-6-8(3)11-9/h5,8H,6H2,1-4H3.
What are the key properties of 2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane?
2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane is sourced from PubChem (CID 69112241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).