1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate

C10H18O3 — CID 22051873

IUPAC1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(C)(C)C
InChIInChI=1S/C10H18O3/c1-7(2)9(11)12-8(3)13-10(4,5)6/h8H,1H2,2-6H3
InChIKeyMLYNUBSZHMBILG-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.27
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate

1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate (PubChem CID 22051873) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
PubChem CID22051873
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(C)(C)C
InChIInChI=1S/C10H18O3/c1-7(2)9(11)12-8(3)13-10(4,5)6/h8H,1H2,2-6H3
InChIKeyMLYNUBSZHMBILG-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate
CID 88597969
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
1-hydroxysulfanylethyl 2-methylprop-2-enoate
CID 23363156
azane;(3-chloro-3-methylbutan-2-yl) 2-methylprop-2-enoate
CID 87146988
tert-butyl 2-methylprop-2-eneperoxoate
CID 14092181
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
(2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate
CID 21187236
[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
CID 91213887
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate (CID 22051873) is 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate?
The InChIKey is MLYNUBSZHMBILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)9(11)12-8(3)13-10(4,5)6/h8H,1H2,2-6H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate?
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22051873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).