1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate

C11H16O4 — CID 53381343

IUPAC1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)CC1(C)OCCO1
InChIInChI=1S/C11H16O4/c1-4-9(15-10(12)5-2)8-11(3)13-6-7-14-11/h4-5,9H,1-2,6-8H2,3H3
InChIKeyZCHMUZOFPWKUFB-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.42
Rot. Bonds5

About 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate

1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate (PubChem CID 53381343) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate
PubChem CID53381343
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)CC1(C)OCCO1
InChIInChI=1S/C11H16O4/c1-4-9(15-10(12)5-2)8-11(3)13-6-7-14-11/h4-5,9H,1-2,6-8H2,3H3
InChIKeyZCHMUZOFPWKUFB-UHFFFAOYSA-N
XLogP1.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate?
The IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate (CID 53381343) is 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate.
What is the SMILES notation for 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate?
The canonical SMILES for 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate is C=CC(=O)OC(C=C)CC1(C)OCCO1.
What is the InChIKey of 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate?
The InChIKey is ZCHMUZOFPWKUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-9(15-10(12)5-2)8-11(3)13-6-7-14-11/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate?
1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl prop-2-enoate is sourced from PubChem (CID 53381343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).