4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane

C12H20O4 — CID 19010991

IUPAC4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1C1COC(C)(C)O1
InChIInChI=1S/C12H20O4/c1-6-8-10(16-12(4,5)14-8)9-7-13-11(2,3)15-9/h6,8-10H,1,7H2,2-5H3
InChIKeyZKJMHSUXOZFJAB-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.84
Rot. Bonds2

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 19010991) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane
PubChem CID19010991
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1C1COC(C)(C)O1
InChIInChI=1S/C12H20O4/c1-6-8-10(16-12(4,5)14-8)9-7-13-11(2,3)15-9/h6,8-10H,1,7H2,2-5H3
InChIKeyZKJMHSUXOZFJAB-UHFFFAOYSA-N
XLogP1.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane (CID 19010991) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane is C=CC1OC(C)(C)OC1C1COC(C)(C)O1.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is ZKJMHSUXOZFJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-6-8-10(16-12(4,5)14-8)9-7-13-11(2,3)15-9/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 228.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-ethenyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 19010991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).