(4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate

C15H16O6 — CID 160980895

IUPAC(4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)C(OC(=O)C=C)(C(=O)C=C)C(=O)C=C
InChIInChI=1S/C15H16O6/c1-6-11(16)15(12(17)7-2,21-14(19)9-4)10(5)20-13(18)8-3/h6-10H,1-4H2,5H3
InChIKeyMLQIABZEIPOBGG-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.08
Rot. Bonds9

About (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate

(4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate (PubChem CID 160980895) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate
PubChem CID160980895
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name(4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)C(OC(=O)C=C)(C(=O)C=C)C(=O)C=C
InChIInChI=1S/C15H16O6/c1-6-11(16)15(12(17)7-2,21-14(19)9-4)10(5)20-13(18)8-3/h6-10H,1-4H2,5H3
InChIKeyMLQIABZEIPOBGG-UHFFFAOYSA-N
XLogP1.08
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate
CID 146164309
[2-(2-Methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate
CID 22184325
(3-Prop-2-enoyloxolan-3-yl) prop-2-enoate
CID 59772007
[3-Acetyl-4-(4-acetyl-4-acetyloxyhexa-1,5-dien-3-yl)oxyhexa-1,5-dien-3-yl] acetate
CID 88729508
[2-Methyl-4-(3-methyl-4-oxohex-5-en-3-yl)oxybutan-2-yl] prop-2-enoate
CID 89046806
[2-Methyl-1-(2-methyl-3-oxopent-4-en-2-yl)oxypropan-2-yl] prop-2-enoate
CID 89222223
1-(3-Methyl-4-oxohex-5-en-3-yl)oxypropan-2-yl prop-2-enoate
CID 89257354
[3-Methyl-1-(3-oxopent-4-en-2-yloxy)pentan-3-yl] prop-2-enoate
CID 89812609
[(3R)-2-methyl-3-(2-methyl-3-oxopent-4-en-2-yl)oxyhexan-2-yl] prop-2-enoate
CID 117634169
2-(2-Methyl-3-oxopent-4-en-2-yl)oxyethyl prop-2-enoate
CID 117711195
[3-Methyl-1-(2-methyl-3-oxopent-4-en-2-yl)oxypentan-3-yl] prop-2-enoate
CID 117795754
[2-Methyl-1-(3-methyl-4-oxohex-5-en-3-yl)oxypropan-2-yl] prop-2-enoate
CID 123507151

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate?
The IUPAC name of (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate (CID 160980895) is (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate.
What is the SMILES notation for (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate?
The canonical SMILES for (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate is C=CC(=O)OC(C)C(OC(=O)C=C)(C(=O)C=C)C(=O)C=C.
What is the InChIKey of (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate?
The InChIKey is MLQIABZEIPOBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-6-11(16)15(12(17)7-2,21-14(19)9-4)10(5)20-13(18)8-3/h6-10H,1-4H2,5H3.
What are the key properties of (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate?
(4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate has a molecular weight of 292.29 g/mol, XLogP of 1.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate is sourced from PubChem (CID 160980895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).