(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate

C10H12O5 — CID 158058157

IUPAC(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate
SMILESC=CCC(=O)OCC1(C)OC(=O)OC1=C
InChIInChI=1S/C10H12O5/c1-4-5-8(11)13-6-10(3)7(2)14-9(12)15-10/h4H,1-2,5-6H2,3H3
InChIKeyFKHZQTKJYRZMIK-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.54
Rot. Bonds4

About (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate

(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate (PubChem CID 158058157) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate.

Molecular Properties

Compound Name(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate
PubChem CID158058157
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate
SMILESC=CCC(=O)OCC1(C)OC(=O)OC1=C
InChIInChI=1S/C10H12O5/c1-4-5-8(11)13-6-10(3)7(2)14-9(12)15-10/h4H,1-2,5-6H2,3H3
InChIKeyFKHZQTKJYRZMIK-UHFFFAOYSA-N
XLogP1.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate?
The IUPAC name of (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate (CID 158058157) is (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate.
What is the SMILES notation for (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate?
The canonical SMILES for (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate is C=CCC(=O)OCC1(C)OC(=O)OC1=C.
What is the InChIKey of (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate?
The InChIKey is FKHZQTKJYRZMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-4-5-8(11)13-6-10(3)7(2)14-9(12)15-10/h4H,1-2,5-6H2,3H3.
What are the key properties of (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate?
(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate has a molecular weight of 212.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate is sourced from PubChem (CID 158058157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).