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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Related Compounds

1,3-Dioxolane, 2-ethenyl-2-methyl-
CID 287948
2-Ethenyl-2-ethyl-1,3-dioxolane
CID 13230701
2,2-Diallyl-1,3-dioxolane
CID 12452065
4-[(Allyloxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 2780154
(4R,5S)-(2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-YL)methan-1-OL
CID 11051924
(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
(4S)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003814
[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11240632
4,5-Divinyl-1,3-dioxolan-2-one
CID 11651165
4-Vinyl-1,3-dioxolane
CID 19388283
2,2-Bis(Trifluoromethyl)-4,5-Divinyl-1,3-Dioxolane
CID 19099814
4-Ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 54426350

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).