2-ethenyl-4-methyl-1,3-dioxolane

C6H10O2 — CID 17025

IUPAC2-ethenyl-4-methyl-1,3-dioxolane
SMILESC=CC1OCC(C)O1
InChIInChI=1S/C6H10O2/c1-3-6-7-4-5(2)8-6/h3,5-6H,1,4H2,2H3
InChIKeyBGIDUFCVXOXJNO-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.93
Rot. Bonds1

About 2-ethenyl-4-methyl-1,3-dioxolane

2-ethenyl-4-methyl-1,3-dioxolane (PubChem CID 17025) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-ethenyl-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethenyl-4-methyl-1,3-dioxolane
PubChem CID17025
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-ethenyl-4-methyl-1,3-dioxolane
SMILESC=CC1OCC(C)O1
InChIInChI=1S/C6H10O2/c1-3-6-7-4-5(2)8-6/h3,5-6H,1,4H2,2H3
InChIKeyBGIDUFCVXOXJNO-UHFFFAOYSA-N
XLogP0.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.93
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-
CID 77603
1,3-Dioxolane, 2-ethenyl-2-methyl-
CID 287948
2-Propenyl-1,3-dioxolane
CID 5369176
1,3-Dioxolane, 4-methyl-2-propenyl-
CID 5385682
2-Methyl-4-methylene-1,3-dioxolane
CID 139821
4-[(Allyloxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 2780154
(r,s)-2-Isopropyl-4-methylene-[1,3]dioxolane
CID 12741648
(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
4-Vinyl-1,3-dioxolane
CID 19388283
2-Ethenyl-2-methoxy-1,3-dioxolane
CID 57204591
2-Ethenyl-2,4-dimethyl-1,3-dioxolane
CID 287974
(4R)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003813

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methyl-1,3-dioxolane?
The IUPAC name of 2-ethenyl-4-methyl-1,3-dioxolane (CID 17025) is 2-ethenyl-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-ethenyl-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-ethenyl-4-methyl-1,3-dioxolane is C=CC1OCC(C)O1.
What is the InChIKey of 2-ethenyl-4-methyl-1,3-dioxolane?
The InChIKey is BGIDUFCVXOXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-6-7-4-5(2)8-6/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-ethenyl-4-methyl-1,3-dioxolane?
2-ethenyl-4-methyl-1,3-dioxolane has a molecular weight of 114.14 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methyl-1,3-dioxolane is sourced from PubChem (CID 17025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).