4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one

C6H8O3 — CID 23361415

IUPAC4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one
SMILESC/C=C/C1COC(=O)O1
InChIInChI=1S/C6H8O3/c1-2-3-5-4-8-6(7)9-5/h2-3,5H,4H2,1H3/b3-2+
InChIKeyRYSIHJHRLINCDU-NSCUHMNNSA-N
MW128.13 g/mol
LogP1.10
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one

4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one (PubChem CID 23361415) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one
PubChem CID23361415
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one
SMILESC/C=C/C1COC(=O)O1
InChIInChI=1S/C6H8O3/c1-2-3-5-4-8-6(7)9-5/h2-3,5H,4H2,1H3/b3-2+
InChIKeyRYSIHJHRLINCDU-NSCUHMNNSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.10
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
2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
ethyl [(E)-pent-3-en-2-yl] carbonate
CID 10877392
methyl [(E)-pent-3-en-2-yl] carbonate
CID 10953637
4,5-Divinyl-1,3-dioxolan-2-one
CID 11651165
Cyclopent-2-en-1-yl methyl carbonate
CID 14932676
1,6-anhydro-3,4-dideoxy-2-O-methyl-beta-d-threo-hex-3-enopyranose
CID 21595655
4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 59875112
4-[(Z)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 59875115
4-(2-Fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72584865

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one (CID 23361415) is 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one is C/C=C/C1COC(=O)O1.
What is the InChIKey of 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one?
The InChIKey is RYSIHJHRLINCDU-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H8O3/c1-2-3-5-4-8-6(7)9-5/h2-3,5H,4H2,1H3/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one?
4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one has a molecular weight of 128.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 23361415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).