[6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate

C17H24O6 — CID 146262842

IUPAC[6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(/C=C/C(=O)OC2CCCCO2)O1
InChIInChI=1S/C17H24O6/c1-12(2)17(19)23-16-8-5-6-13(21-16)9-10-14(18)22-15-7-3-4-11-20-15/h9-10,13,15-16H,1,3-8,11H2,2H3/b10-9+
InChIKeyNGFARQWJRIESEI-MDZDMXLPSA-N
MW324.37 g/mol
LogP2.63
Rot. Bonds5

About [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate

[6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate (PubChem CID 146262842) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate
PubChem CID146262842
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name[6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(/C=C/C(=O)OC2CCCCO2)O1
InChIInChI=1S/C17H24O6/c1-12(2)17(19)23-16-8-5-6-13(21-16)9-10-14(18)22-15-7-3-4-11-20-15/h9-10,13,15-16H,1,3-8,11H2,2H3/b10-9+
InChIKeyNGFARQWJRIESEI-MDZDMXLPSA-N
XLogP2.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate with MolForge

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Related Compounds

oxan-2-yl 2-methylbut-2-enoate
CID 68809756
bis(oxolan-2-yl) (E)-but-2-enedioate
CID 70212564
(Z)-4-(oxan-2-yloxy)-4-oxobut-2-enoate
CID 86745284
2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
CID 159532508
2-methyl-4-(oxan-2-yloxycarbonyl)penta-2,4-dienoic acid
CID 131986537
oxan-2-yl 5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 18724147
oxan-2-yl 4-methylpent-4-enoate
CID 11008908
oxolan-2-yl 2-methylprop-2-eneperoxoate
CID 141130125
1-adamantyl 2-methylprop-2-enoate;oxan-2-yl 2-hydroxyprop-2-enoate
CID 67611602
5-O-methyl 1-O-(oxepan-2-yl) (E)-pent-2-enedioate
CID 146659879
2,2-dimethyl-3-[3-oxo-3-(oxolan-2-yloxy)prop-1-enyl]cyclopropane-1-carboxylic acid
CID 70395182
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066

Frequently Asked Questions

What is the IUPAC name of [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate (CID 146262842) is [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC(/C=C/C(=O)OC2CCCCO2)O1.
What is the InChIKey of [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate?
The InChIKey is NGFARQWJRIESEI-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H24O6/c1-12(2)17(19)23-16-8-5-6-13(21-16)9-10-14(18)22-15-7-3-4-11-20-15/h9-10,13,15-16H,1,3-8,11H2,2H3/b10-9+.
What are the key properties of [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate?
[6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate has a molecular weight of 324.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 146262842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).