(3-prop-2-enyloxan-2-yl) butanoate

C12H20O3 — CID 15372490

IUPAC(3-prop-2-enyloxan-2-yl) butanoate
SMILESC=CCC1CCCOC1OC(=O)CCC
InChIInChI=1S/C12H20O3/c1-3-6-10-8-5-9-14-12(10)15-11(13)7-4-2/h3,10,12H,1,4-9H2,2H3
InChIKeyBGYXBNSRYCAWRS-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.66
Rot. Bonds5

About (3-prop-2-enyloxan-2-yl) butanoate

(3-prop-2-enyloxan-2-yl) butanoate (PubChem CID 15372490) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3-prop-2-enyloxan-2-yl) butanoate.

Molecular Properties

Compound Name(3-prop-2-enyloxan-2-yl) butanoate
PubChem CID15372490
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(3-prop-2-enyloxan-2-yl) butanoate
SMILESC=CCC1CCCOC1OC(=O)CCC
InChIInChI=1S/C12H20O3/c1-3-6-10-8-5-9-14-12(10)15-11(13)7-4-2/h3,10,12H,1,4-9H2,2H3
InChIKeyBGYXBNSRYCAWRS-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3-prop-2-enyloxan-2-yl) butanoate?
The IUPAC name of (3-prop-2-enyloxan-2-yl) butanoate (CID 15372490) is (3-prop-2-enyloxan-2-yl) butanoate.
What is the SMILES notation for (3-prop-2-enyloxan-2-yl) butanoate?
The canonical SMILES for (3-prop-2-enyloxan-2-yl) butanoate is C=CCC1CCCOC1OC(=O)CCC.
What is the InChIKey of (3-prop-2-enyloxan-2-yl) butanoate?
The InChIKey is BGYXBNSRYCAWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-6-10-8-5-9-14-12(10)15-11(13)7-4-2/h3,10,12H,1,4-9H2,2H3.
What are the key properties of (3-prop-2-enyloxan-2-yl) butanoate?
(3-prop-2-enyloxan-2-yl) butanoate has a molecular weight of 212.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enyloxan-2-yl) butanoate is sourced from PubChem (CID 15372490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).