2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate

C12H20O4 — CID 141200915

IUPAC2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=COC(C)COC(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C12H20O4/c1-7-14-10(4)8-15-12(5,6)16-11(13)9(2)3/h7,10H,1-2,8H2,3-6H3
InChIKeyCMPKGMCCCMASOW-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.41
Rot. Bonds7

About 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate

2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate (PubChem CID 141200915) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate
PubChem CID141200915
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=COC(C)COC(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C12H20O4/c1-7-14-10(4)8-15-12(5,6)16-11(13)9(2)3/h7,10H,1-2,8H2,3-6H3
InChIKeyCMPKGMCCCMASOW-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-dodecoxypropan-2-yl 2-methylprop-2-enoate
CID 139797914
[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
CID 123706360
(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate
CID 20643704
2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate
CID 140618105
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
(4-ethenoxy-2-methylpentan-2-yl)urea
CID 154135773
2-ethenoxybutyl 2-methylprop-2-enoate
CID 87422864
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
[7-methyl-7-(2-methylprop-2-enoyloxy)octan-2-yl] 2-methylprop-2-enoate
CID 22259481
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate
CID 174325066
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate (CID 141200915) is 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate is C=COC(C)COC(C)(C)OC(=O)C(=C)C.
What is the InChIKey of 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is CMPKGMCCCMASOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-7-14-10(4)8-15-12(5,6)16-11(13)9(2)3/h7,10H,1-2,8H2,3-6H3.
What are the key properties of 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate?
2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 141200915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).