4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane

C9H14O2 — CID 123617738

IUPAC4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane
SMILESC=CC1(C)OC(C)(C)OC1=C
InChIInChI=1S/C9H14O2/c1-6-9(5)7(2)10-8(3,4)11-9/h6H,1-2H2,3-5H3
InChIKeyFFOPAYAISNOHPB-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.23
Rot. Bonds1

About 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane

4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane (PubChem CID 123617738) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane
PubChem CID123617738
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane
SMILESC=CC1(C)OC(C)(C)OC1=C
InChIInChI=1S/C9H14O2/c1-6-9(5)7(2)10-8(3,4)11-9/h6H,1-2H2,3-5H3
InChIKeyFFOPAYAISNOHPB-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.23
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 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane (CID 123617738) is 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane is C=CC1(C)OC(C)(C)OC1=C.
What is the InChIKey of 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane?
The InChIKey is FFOPAYAISNOHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-9(5)7(2)10-8(3,4)11-9/h6H,1-2H2,3-5H3.
What are the key properties of 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane?
4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane has a molecular weight of 154.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane is sourced from PubChem (CID 123617738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).