but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate

C8H10O5 — CID 134599603

IUPACbut-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESC=CCCOC(=O)C1COC(=O)O1
InChIInChI=1S/C8H10O5/c1-2-3-4-11-7(9)6-5-12-8(10)13-6/h2,6H,1,3-5H2
InChIKeyUAXPNMSZTPQLTA-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.64
Rot. Bonds4

About but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate

but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599603) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namebut-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599603
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namebut-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESC=CCCOC(=O)C1COC(=O)O1
InChIInChI=1S/C8H10O5/c1-2-3-4-11-7(9)6-5-12-8(10)13-6/h2,6H,1,3-5H2
InChIKeyUAXPNMSZTPQLTA-UHFFFAOYSA-N
XLogP0.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate (CID 134599603) is but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate is C=CCCOC(=O)C1COC(=O)O1.
What is the InChIKey of but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is UAXPNMSZTPQLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-2-3-4-11-7(9)6-5-12-8(10)13-6/h2,6H,1,3-5H2.
What are the key properties of but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate?
but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 186.16 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).