[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate

C18H28O6 — CID 139783066

IUPAC[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate
SMILESC=CC(=O)OCC(C)(C)C1OCC(CC)(COC(=O)C(=C)C)CO1
InChIInChI=1S/C18H28O6/c1-7-14(19)21-9-17(5,6)16-23-11-18(8-2,12-24-16)10-22-15(20)13(3)4/h7,16H,1,3,8-12H2,2,4-6H3
InChIKeyUEBPATNAVCJGPH-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.63
Rot. Bonds8

About [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate

[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate (PubChem CID 139783066) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate
PubChem CID139783066
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate
SMILESC=CC(=O)OCC(C)(C)C1OCC(CC)(COC(=O)C(=C)C)CO1
InChIInChI=1S/C18H28O6/c1-7-14(19)21-9-17(5,6)16-23-11-18(8-2,12-24-16)10-22-15(20)13(3)4/h7,16H,1,3,8-12H2,2,4-6H3
InChIKeyUEBPATNAVCJGPH-UHFFFAOYSA-N
XLogP2.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[5-ethyl-5-(1-hydroxyprop-2-enoxymethyl)-1,3-dioxan-2-yl]-2-methylpropyl] prop-2-enoate
CID 166701882
[2-[5-ethyl-5-(prop-2-enoyloxymethyl)-1,3-dioxan-2-yl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[5-ethyl-5-(prop-2-enoyloxymethyl)-1,3-dioxan-2-yl]-2-methylpentyl] 2-methylprop-2-enoate;[2-methyl-2-[5-methyl-5-(prop-2-enoyloxymethyl)-1,3-dioxan-2-yl]pentyl] 2-methylprop-2-enoate
CID 157262630
[5-ethyl-2-(2-methyl-4-oxohex-5-en-2-yl)-1,3-dioxan-5-yl]methyl propanoate
CID 23534044
2-[[2-[1-(2-carboxycyclohexanecarbonyl)oxy-2-methylpropan-2-yl]-5-ethyl-1,3-dioxan-5-yl]methoxycarbonyl]cyclohexane-1-carboxylic acid
CID 118030844
(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141129170
butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 88777427
(3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 158356798
(3-ethyloxetan-3-yl)methyl 2,2-dimethylbutanoate;2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylbutanoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2,2-dimethylbutanoate;2-prop-2-enoyloxyethyl 2,2-dimethylbutanoate
CID 165000927
(2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141208157
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 6454134
butyl 2-methylprop-2-enoate;ethene;oxiran-2-ylmethyl prop-2-enoate
CID 135308468
2-[2,2-dimethyl-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate;(2,2-dimethyl-3-prop-2-enoyloxypropyl) 2,2-dimethyl-3-prop-2-enoyloxypropanoate;[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl prop-2-enoate;ethyl prop-2-enoate;2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;3-[6-(3-prop-2-enoyloxypropoxy)hexoxy]propyl prop-2-enoate;3-[3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl prop-2-enoate
CID 158036517

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate (CID 139783066) is [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate is C=CC(=O)OCC(C)(C)C1OCC(CC)(COC(=O)C(=C)C)CO1.
What is the InChIKey of [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate?
The InChIKey is UEBPATNAVCJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6/c1-7-14(19)21-9-17(5,6)16-23-11-18(8-2,12-24-16)10-22-15(20)13(3)4/h7,16H,1,3,8-12H2,2,4-6H3.
What are the key properties of [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate?
[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate has a molecular weight of 340.42 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 139783066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).