[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate

C14H20O5 — CID 129143087

IUPAC[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1OCCCC1OC(=O)C(=C)C
InChIInChI=1S/C14H20O5/c1-9(2)13(15)18-8-12-11(6-5-7-17-12)19-14(16)10(3)4/h11-12H,1,3,5-8H2,2,4H3
InChIKeyZHNXBEZHFBJTAC-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.77
Rot. Bonds5

About [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate

[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 129143087) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate
PubChem CID129143087
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1OCCCC1OC(=O)C(=C)C
InChIInChI=1S/C14H20O5/c1-9(2)13(15)18-8-12-11(6-5-7-17-12)19-14(16)10(3)4/h11-12H,1,3,5-8H2,2,4H3
InChIKeyZHNXBEZHFBJTAC-UHFFFAOYSA-N
XLogP1.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
CID 137428547
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138
oxolan-2-ylmethyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 90002166
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
[2-(hydroxymethyl)oxan-3-yl] acetate
CID 164943022
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
[3-hydroxy-4-(2-methylprop-2-enoyloxy)cyclohexyl]methyl 2-methylprop-2-enoate;3-methylbut-3-en-2-one
CID 158251874

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate (CID 129143087) is [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1OCCCC1OC(=O)C(=C)C.
What is the InChIKey of [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is ZHNXBEZHFBJTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-9(2)13(15)18-8-12-11(6-5-7-17-12)19-14(16)10(3)4/h11-12H,1,3,5-8H2,2,4H3.
What are the key properties of [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate?
[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 129143087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).