4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one

C7H8O3 — CID 15936984

IUPAC4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=CC1(C)OC(=O)OC1=C
InChIInChI=1S/C7H8O3/c1-4-7(3)5(2)9-6(8)10-7/h4H,1-2H2,3H3
InChIKeyBYDKADGVUWBKEV-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.61
Rot. Bonds1

About 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one

4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one (PubChem CID 15936984) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
PubChem CID15936984
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=CC1(C)OC(=O)OC1=C
InChIInChI=1S/C7H8O3/c1-4-7(3)5(2)9-6(8)10-7/h4H,1-2H2,3H3
InChIKeyBYDKADGVUWBKEV-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxolan-2-one, 4,4-dimethyl-5-methylene-
CID 78175
4-Ethyl-4-methyl-5-methylene-1,3-dioxolan-2-one
CID 544710
(4R)-4-ethenyl-4-methyl-1,3-dioxolan-2-one
CID 11768583
4-Ethenyl-4-methyl-1,3-dioxolan-2-one
CID 22348558
4,4-Bis(ethenyl)-1,3-dioxolan-2-one
CID 66696504
(4S)-4-ethenyl-4-methyl-1,3-dioxolane
CID 134950069
4-Ethenyl-4-ethyl-1,3-dioxolan-2-one
CID 22348559
4-Ethenyl-4,5-dimethyl-1,3-dioxolan-2-one
CID 66865740
4-Ethenyl-4,5,5-trimethyl-1,3-dioxolan-2-one
CID 66865741
4-Ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane
CID 123617738
4-Ethenyl-4-methyl-5-methylidene-1,3-dioxolane
CID 141356922
(4R)-4-ethenyl-4,5,5-trimethyl-1,3-dioxolan-2-one
CID 143454751

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one (CID 15936984) is 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one is C=CC1(C)OC(=O)OC1=C.
What is the InChIKey of 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is BYDKADGVUWBKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-4-7(3)5(2)9-6(8)10-7/h4H,1-2H2,3H3.
What are the key properties of 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 140.14 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 15936984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).