4-ethenyl-5-methyl-1,3-dioxolane

C6H10O2 — CID 154265114

IUPAC4-ethenyl-5-methyl-1,3-dioxolane
SMILESC=CC1OCOC1C
InChIInChI=1S/C6H10O2/c1-3-6-5(2)7-4-8-6/h3,5-6H,1,4H2,2H3
InChIKeyBKSCDIYOMKAAQK-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.93
Rot. Bonds1

About 4-ethenyl-5-methyl-1,3-dioxolane

4-ethenyl-5-methyl-1,3-dioxolane (PubChem CID 154265114) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4-ethenyl-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-5-methyl-1,3-dioxolane
PubChem CID154265114
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4-ethenyl-5-methyl-1,3-dioxolane
SMILESC=CC1OCOC1C
InChIInChI=1S/C6H10O2/c1-3-6-5(2)7-4-8-6/h3,5-6H,1,4H2,2H3
InChIKeyBKSCDIYOMKAAQK-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

(4R,5S)-4,5-dimethyl-1,3-dioxolane
CID 13085378
ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane
CID 143261797
4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene
CID 143329167
4-iodo-5-methyl-1,3-dioxolane
CID 146660754
(2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol
CID 22848915
2-methyloxirane;bis(prop-1-ene)
CID 157154960
(2S,3R)-3-ethenyl-2-methyloxane
CID 139439800
(1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane
CID 15313308
(2R,3S)-3-ethenyl-2-methyloxane
CID 134995886
ethane;2-methyloxirane;prop-1-ene
CID 159933828
1-(4,6-dimethyl-1,3-dioxan-5-yl)ethanone
CID 90985845
4,5-dimethyl-1,3-dioxolane;1,2-xylene
CID 158261825

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methyl-1,3-dioxolane?
The IUPAC name of 4-ethenyl-5-methyl-1,3-dioxolane (CID 154265114) is 4-ethenyl-5-methyl-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-5-methyl-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-5-methyl-1,3-dioxolane is C=CC1OCOC1C.
What is the InChIKey of 4-ethenyl-5-methyl-1,3-dioxolane?
The InChIKey is BKSCDIYOMKAAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-6-5(2)7-4-8-6/h3,5-6H,1,4H2,2H3.
What are the key properties of 4-ethenyl-5-methyl-1,3-dioxolane?
4-ethenyl-5-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 4-ethenyl-5-methyl-1,3-dioxolane is sourced from PubChem (CID 154265114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).