2-(3-bromobut-3-enyl)-1,3-dioxolane

C7H11BrO2 — CID 552140

IUPAC2-(3-bromobut-3-enyl)-1,3-dioxolane
SMILESC=C(Br)CCC1OCCO1
InChIInChI=1S/C7H11BrO2/c1-6(8)2-3-7-9-4-5-10-7/h7H,1-5H2
InChIKeyCOJQNROBPRUOQA-UHFFFAOYSA-N
MW207.07 g/mol
LogP2.05
Rot. Bonds3

About 2-(3-bromobut-3-enyl)-1,3-dioxolane

2-(3-bromobut-3-enyl)-1,3-dioxolane (PubChem CID 552140) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is 2-(3-bromobut-3-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromobut-3-enyl)-1,3-dioxolane
PubChem CID552140
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name2-(3-bromobut-3-enyl)-1,3-dioxolane
SMILESC=C(Br)CCC1OCCO1
InChIInChI=1S/C7H11BrO2/c1-6(8)2-3-7-9-4-5-10-7/h7H,1-5H2
InChIKeyCOJQNROBPRUOQA-UHFFFAOYSA-N
XLogP2.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromobut-3-enyl)-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-(3-bromobut-3-enyl)-1,3-dioxolane?
The IUPAC name of 2-(3-bromobut-3-enyl)-1,3-dioxolane (CID 552140) is 2-(3-bromobut-3-enyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromobut-3-enyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-bromobut-3-enyl)-1,3-dioxolane is C=C(Br)CCC1OCCO1.
What is the InChIKey of 2-(3-bromobut-3-enyl)-1,3-dioxolane?
The InChIKey is COJQNROBPRUOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-6(8)2-3-7-9-4-5-10-7/h7H,1-5H2.
What are the key properties of 2-(3-bromobut-3-enyl)-1,3-dioxolane?
2-(3-bromobut-3-enyl)-1,3-dioxolane has a molecular weight of 207.07 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromobut-3-enyl)-1,3-dioxolane is sourced from PubChem (CID 552140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).