2-but-2-enyl-2-methyl-1,3-dioxolane

C8H14O2 — CID 162417486

IUPAC2-but-2-enyl-2-methyl-1,3-dioxolane
SMILESCC=CCC1(C)OCCO1
InChIInChI=1S/C8H14O2/c1-3-4-5-8(2)9-6-7-10-8/h3-4H,5-7H2,1-2H3
InChIKeyAOQWGABFEZKGEW-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds2

About 2-but-2-enyl-2-methyl-1,3-dioxolane

2-but-2-enyl-2-methyl-1,3-dioxolane (PubChem CID 162417486) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-but-2-enyl-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-but-2-enyl-2-methyl-1,3-dioxolane
PubChem CID162417486
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-but-2-enyl-2-methyl-1,3-dioxolane
SMILESCC=CCC1(C)OCCO1
InChIInChI=1S/C8H14O2/c1-3-4-5-8(2)9-6-7-10-8/h3-4H,5-7H2,1-2H3
InChIKeyAOQWGABFEZKGEW-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyl-2-methyl-1,3-dioxolane?
The IUPAC name of 2-but-2-enyl-2-methyl-1,3-dioxolane (CID 162417486) is 2-but-2-enyl-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-but-2-enyl-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-but-2-enyl-2-methyl-1,3-dioxolane is CC=CCC1(C)OCCO1.
What is the InChIKey of 2-but-2-enyl-2-methyl-1,3-dioxolane?
The InChIKey is AOQWGABFEZKGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-5-8(2)9-6-7-10-8/h3-4H,5-7H2,1-2H3.
What are the key properties of 2-but-2-enyl-2-methyl-1,3-dioxolane?
2-but-2-enyl-2-methyl-1,3-dioxolane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-2-methyl-1,3-dioxolane is sourced from PubChem (CID 162417486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).