2,2-bis(ethenyl)-4-methyl-1,3-dioxolane

C8H12O2 — CID 59269223

IUPAC2,2-bis(ethenyl)-4-methyl-1,3-dioxolane
SMILESC=CC1(C=C)OCC(C)O1
InChIInChI=1S/C8H12O2/c1-4-8(5-2)9-6-7(3)10-8/h4-5,7H,1-2,6H2,3H3
InChIKeyMXGWRTNZFOHRIY-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.49
Rot. Bonds2

About 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane

2,2-bis(ethenyl)-4-methyl-1,3-dioxolane (PubChem CID 59269223) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-bis(ethenyl)-4-methyl-1,3-dioxolane
PubChem CID59269223
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,2-bis(ethenyl)-4-methyl-1,3-dioxolane
SMILESC=CC1(C=C)OCC(C)O1
InChIInChI=1S/C8H12O2/c1-4-8(5-2)9-6-7(3)10-8/h4-5,7H,1-2,6H2,3H3
InChIKeyMXGWRTNZFOHRIY-UHFFFAOYSA-N
XLogP1.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.49
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 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane?
The IUPAC name of 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane (CID 59269223) is 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane?
The canonical SMILES for 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane is C=CC1(C=C)OCC(C)O1.
What is the InChIKey of 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane?
The InChIKey is MXGWRTNZFOHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-8(5-2)9-6-7(3)10-8/h4-5,7H,1-2,6H2,3H3.
What are the key properties of 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane?
2,2-bis(ethenyl)-4-methyl-1,3-dioxolane has a molecular weight of 140.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethenyl)-4-methyl-1,3-dioxolane is sourced from PubChem (CID 59269223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).