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

C9H14O2 — CID 538638

IUPAC4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1C=C
InChIInChI=1S/C9H14O2/c1-5-7-8(6-2)11-9(3,4)10-7/h5-8H,1-2H2,3-4H3
InChIKeyOLWFHQUMBKPUNL-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds2

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

4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 538638) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID538638
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1C=C
InChIInChI=1S/C9H14O2/c1-5-7-8(6-2)11-9(3,4)10-7/h5-8H,1-2H2,3-4H3
InChIKeyOLWFHQUMBKPUNL-UHFFFAOYSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
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 4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane (CID 538638) is 4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane is C=CC1OC(C)(C)OC1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is OLWFHQUMBKPUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-7-8(6-2)11-9(3,4)10-7/h5-8H,1-2H2,3-4H3.
What are the key properties of 4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane?
4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 154.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 538638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).