2-but-3-enoyloxypropyl but-3-enoate

C11H16O4 — CID 87189396

IUPAC2-but-3-enoyloxypropyl but-3-enoate
SMILESC=CCC(=O)OCC(C)OC(=O)CC=C
InChIInChI=1S/C11H16O4/c1-4-6-10(12)14-8-9(3)15-11(13)7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyGVASNIUCMIGLTH-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.61
Rot. Bonds7

About 2-but-3-enoyloxypropyl but-3-enoate

2-but-3-enoyloxypropyl but-3-enoate (PubChem CID 87189396) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-but-3-enoyloxypropyl but-3-enoate.

Molecular Properties

Compound Name2-but-3-enoyloxypropyl but-3-enoate
PubChem CID87189396
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-but-3-enoyloxypropyl but-3-enoate
SMILESC=CCC(=O)OCC(C)OC(=O)CC=C
InChIInChI=1S/C11H16O4/c1-4-6-10(12)14-8-9(3)15-11(13)7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyGVASNIUCMIGLTH-UHFFFAOYSA-N
XLogP1.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-but-3-enoyloxypropyl but-3-enoate?
The IUPAC name of 2-but-3-enoyloxypropyl but-3-enoate (CID 87189396) is 2-but-3-enoyloxypropyl but-3-enoate.
What is the SMILES notation for 2-but-3-enoyloxypropyl but-3-enoate?
The canonical SMILES for 2-but-3-enoyloxypropyl but-3-enoate is C=CCC(=O)OCC(C)OC(=O)CC=C.
What is the InChIKey of 2-but-3-enoyloxypropyl but-3-enoate?
The InChIKey is GVASNIUCMIGLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-6-10(12)14-8-9(3)15-11(13)7-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 2-but-3-enoyloxypropyl but-3-enoate?
2-but-3-enoyloxypropyl but-3-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoyloxypropyl but-3-enoate is sourced from PubChem (CID 87189396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).