(4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one

C7H8O3 — CID 101454011

IUPAC(4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one
SMILESC=C[C@@H]1OC(=O)O[C@H]1C=C
InChIInChI=1S/C7H8O3/c1-3-5-6(4-2)10-7(8)9-5/h3-6H,1-2H2/t5-,6-/m0/s1
InChIKeyDQHCJQDPISNGEP-WDSKDSINSA-N
MW140.14 g/mol
LogP1.26
Rot. Bonds2

About (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one

(4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one (PubChem CID 101454011) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one
PubChem CID101454011
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one
SMILESC=C[C@@H]1OC(=O)O[C@H]1C=C
InChIInChI=1S/C7H8O3/c1-3-5-6(4-2)10-7(8)9-5/h3-6H,1-2H2/t5-,6-/m0/s1
InChIKeyDQHCJQDPISNGEP-WDSKDSINSA-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
(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
4,5-Divinyl-1,3-dioxolan-2-one
CID 11651165
(4R)-4-ethenyl-4-methyl-1,3-dioxolan-2-one
CID 11768583
4-Prop-2-enyl-1,3-dioxolan-2-one
CID 18702129
4-Vinyl-1,3-dioxolane
CID 19388283
4-Ethenyl-4-methyl-1,3-dioxolan-2-one
CID 22348558
4,4-Bis(ethenyl)-1,3-dioxolan-2-one
CID 66696504
4-Ethenyl-5-methylidene-1,3-dioxolan-2-one
CID 89425105
4-(1-Fluoroethenyl)-1,3-dioxolan-2-one
CID 69479594

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one?
The IUPAC name of (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one (CID 101454011) is (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one is C=C[C@@H]1OC(=O)O[C@H]1C=C.
What is the InChIKey of (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one?
The InChIKey is DQHCJQDPISNGEP-WDSKDSINSA-N. The full InChI is InChI=1S/C7H8O3/c1-3-5-6(4-2)10-7(8)9-5/h3-6H,1-2H2/t5-,6-/m0/s1.
What are the key properties of (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one?
(4S,5S)-4,5-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 (4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 101454011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).