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

C12H20O3 — CID 15372487

IUPAC(2-prop-2-enyloxan-3-yl) butanoate
SMILESC=CCC1OCCCC1OC(=O)CCC
InChIInChI=1S/C12H20O3/c1-3-6-10-11(8-5-9-14-10)15-12(13)7-4-2/h3,10-11H,1,4-9H2,2H3
InChIKeyDAFHDRGJUHTQEA-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds5

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

(2-prop-2-enyloxan-3-yl) butanoate (PubChem CID 15372487) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2-prop-2-enyloxan-3-yl) butanoate.

Molecular Properties

Compound Name(2-prop-2-enyloxan-3-yl) butanoate
PubChem CID15372487
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2-prop-2-enyloxan-3-yl) butanoate
SMILESC=CCC1OCCCC1OC(=O)CCC
InChIInChI=1S/C12H20O3/c1-3-6-10-11(8-5-9-14-10)15-12(13)7-4-2/h3,10-11H,1,4-9H2,2H3
InChIKeyDAFHDRGJUHTQEA-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-2-prop-2-enoxyoxan-3-yl] octanoate
CID 10869836
(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane
CID 132969009
oxan-2-yl butanoate
CID 14932559
[(1S,2R)-2-methylcyclohexyl] butanoate
CID 91695904
(2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane
CID 10608531
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
CID 137428547
butanoic acid;2-(3-butanoyloxyoxan-2-yl)oxybenzoic acid;ethane
CID 153373297
[2-(hydroxymethyl)oxan-3-yl] acetate
CID 164943022
[(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate
CID 10880935
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl butanoate
CID 16756226
[(1R,2R)-2-[(dimethylamino)methyl]cycloheptyl] butanoate
CID 100985532

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enyloxan-3-yl) butanoate?
The IUPAC name of (2-prop-2-enyloxan-3-yl) butanoate (CID 15372487) is (2-prop-2-enyloxan-3-yl) butanoate.
What is the SMILES notation for (2-prop-2-enyloxan-3-yl) butanoate?
The canonical SMILES for (2-prop-2-enyloxan-3-yl) butanoate is C=CCC1OCCCC1OC(=O)CCC.
What is the InChIKey of (2-prop-2-enyloxan-3-yl) butanoate?
The InChIKey is DAFHDRGJUHTQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-6-10-11(8-5-9-14-10)15-12(13)7-4-2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of (2-prop-2-enyloxan-3-yl) butanoate?
(2-prop-2-enyloxan-3-yl) butanoate has a molecular weight of 212.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enyloxan-3-yl) butanoate is sourced from PubChem (CID 15372487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).