[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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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).