2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate

C12H20O4 — CID 118361008

IUPAC2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C1CCC(COC)O1
InChIInChI=1S/C12H20O4/c1-5-11(13)16-12(2,3)10-7-6-9(15-10)8-14-4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyJXXFZLQGMZRWLS-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.69
Rot. Bonds5

About 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate

2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate (PubChem CID 118361008) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate
PubChem CID118361008
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C1CCC(COC)O1
InChIInChI=1S/C12H20O4/c1-5-11(13)16-12(2,3)10-7-6-9(15-10)8-14-4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyJXXFZLQGMZRWLS-UHFFFAOYSA-N
XLogP1.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(methoxymethyl)oxolane
CID 57041378
2-(7-oxooxepan-2-yl)propan-2-yl prop-2-enoate
CID 20736048
2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate
CID 160647016
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174535709
2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate
CID 158940208
[5-(methoxymethyl)oxolan-2-yl]methyl 3-methylbut-3-enoate
CID 163958546
tert-butyl prop-2-enoate;1,4-dioxane
CID 174977908
[5-(methoxymethyl)oxolan-2-yl]methyl 3-oxobutanoate
CID 170416752
[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate
CID 141266638
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
oxetan-2-ylmethyl prop-2-enoate
CID 23067256

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate?
The IUPAC name of 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate (CID 118361008) is 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate.
What is the SMILES notation for 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate?
The canonical SMILES for 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)(C)C1CCC(COC)O1.
What is the InChIKey of 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate?
The InChIKey is JXXFZLQGMZRWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-5-11(13)16-12(2,3)10-7-6-9(15-10)8-14-4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate?
2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate is sourced from PubChem (CID 118361008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).