4,4-bis(ethenyl)-1,3-dioxolan-2-one

C7H8O3 — CID 66696504

IUPAC4,4-bis(ethenyl)-1,3-dioxolan-2-one
SMILESC=CC1(C=C)COC(=O)O1
InChIInChI=1S/C7H8O3/c1-3-7(4-2)5-9-6(8)10-7/h3-4H,1-2,5H2
InChIKeyNTZGQRUKVCNBQN-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.26
Rot. Bonds2

About 4,4-bis(ethenyl)-1,3-dioxolan-2-one

4,4-bis(ethenyl)-1,3-dioxolan-2-one (PubChem CID 66696504) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4,4-bis(ethenyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4-bis(ethenyl)-1,3-dioxolan-2-one
PubChem CID66696504
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name4,4-bis(ethenyl)-1,3-dioxolan-2-one
SMILESC=CC1(C=C)COC(=O)O1
InChIInChI=1S/C7H8O3/c1-3-7(4-2)5-9-6(8)10-7/h3-4H,1-2,5H2
InChIKeyNTZGQRUKVCNBQN-UHFFFAOYSA-N
XLogP1.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.26
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-ethenyl-
CID 2735038
(S)-4-Ethenyl-1,3-dioxolan-2-one
CID 6951171
(4R)-4-ethenyl-1,3-dioxolan-2-one
CID 2735039
4,5-Divinyl-1,3-dioxolan-2-one
CID 11651165
(4R)-4-ethenyl-4-methyl-1,3-dioxolan-2-one
CID 11768583
4-Ethenyl-4-methyl-1,3-dioxolan-2-one
CID 22348558
4-Ethenyl-5-methylidene-1,3-dioxolan-2-one
CID 89425105
4-Ethenyl-4,5-difluoro-1,3-dioxolan-2-one
CID 150982938
4-Ethenyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
CID 15936984
(4S,5R)-4,5-bis(ethenyl)-1,3-dioxolan-2-one
CID 11491946
(4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one
CID 101454011
(4S)-4-ethenyl-4-methyl-1,3-dioxolane
CID 134950069

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethenyl)-1,3-dioxolan-2-one?
The IUPAC name of 4,4-bis(ethenyl)-1,3-dioxolan-2-one (CID 66696504) is 4,4-bis(ethenyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4-bis(ethenyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4,4-bis(ethenyl)-1,3-dioxolan-2-one is C=CC1(C=C)COC(=O)O1.
What is the InChIKey of 4,4-bis(ethenyl)-1,3-dioxolan-2-one?
The InChIKey is NTZGQRUKVCNBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-3-7(4-2)5-9-6(8)10-7/h3-4H,1-2,5H2.
What are the key properties of 4,4-bis(ethenyl)-1,3-dioxolan-2-one?
4,4-bis(ethenyl)-1,3-dioxolan-2-one has a molecular weight of 140.14 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethenyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 66696504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).