[2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate

C12H18O5 — CID 151672583

IUPAC[2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(COC(=O)CC)CCCO1
InChIInChI=1S/C12H18O5/c1-4-10(13)15-8-12(6-5-7-16-12)17-11(14)9(2)3/h2,4-8H2,1,3H3
InChIKeyQYWDHPHTKPHGQY-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.57
Rot. Bonds5

About [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate

[2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate (PubChem CID 151672583) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate
PubChem CID151672583
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(COC(=O)CC)CCCO1
InChIInChI=1S/C12H18O5/c1-4-10(13)15-8-12(6-5-7-16-12)17-11(14)9(2)3/h2,4-8H2,1,3H3
InChIKeyQYWDHPHTKPHGQY-UHFFFAOYSA-N
XLogP1.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.57
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

[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141141914
(1-ethylcyclooctyl) 2-methylprop-2-enoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate
CID 170852401
[(2S)-2-methyloxiran-2-yl]methyl propanoate
CID 100919091
[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate
CID 24885943
[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 139892323
[1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate
CID 155152412
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141129170
[2-oxo-2-(1-prop-1-en-2-ylcyclohexyl)oxyethyl] 2-methylprop-2-enoate
CID 159618515
tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
[1-(6-methylheptyl)cyclooctyl] 2-methylprop-2-enoate
CID 140866507
(1-ethyl-4-oxocyclohexyl) 2-methylprop-2-enoate
CID 88988887

Frequently Asked Questions

What is the IUPAC name of [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate (CID 151672583) is [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(COC(=O)CC)CCCO1.
What is the InChIKey of [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate?
The InChIKey is QYWDHPHTKPHGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-4-10(13)15-8-12(6-5-7-16-12)17-11(14)9(2)3/h2,4-8H2,1,3H3.
What are the key properties of [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate?
[2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate has a molecular weight of 242.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 151672583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).