tert-butyl 2-(2-methylprop-2-enoxy)propanoate

C11H20O3 — CID 166848387

IUPACtert-butyl 2-(2-methylprop-2-enoxy)propanoate
SMILESC=C(C)COC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-8(2)7-13-9(3)10(12)14-11(4,5)6/h9H,1,7H2,2-6H3
InChIKeyIEFHGFOSUVWRLE-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds4

About tert-butyl 2-(2-methylprop-2-enoxy)propanoate

tert-butyl 2-(2-methylprop-2-enoxy)propanoate (PubChem CID 166848387) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 2-(2-methylprop-2-enoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylprop-2-enoxy)propanoate
PubChem CID166848387
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl 2-(2-methylprop-2-enoxy)propanoate
SMILESC=C(C)COC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-8(2)7-13-9(3)10(12)14-11(4,5)6/h9H,1,7H2,2-6H3
InChIKeyIEFHGFOSUVWRLE-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-heptoxypropanoate
CID 66337184
tert-butyl 2-(2-propoxyethoxy)propanoate
CID 66338102
tert-butyl (2S)-2-amino-5-methylhex-5-enoate
CID 155170397
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl 2-(2-butoxyethoxy)propanoate
CID 66337185
tert-butyl (2S)-2-methyl-3-sulfanylpropanoate
CID 22860483
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
tert-butyl (2R)-2-hydroxy-5-methyl-4-methylidenehex-5-enoate
CID 101239216
2-methylprop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 24766111
tert-butyl 2-(2-ethylhexoxy)propanoate
CID 66337367
tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate
CID 66338285
[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate
CID 58669031

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylprop-2-enoxy)propanoate?
The IUPAC name of tert-butyl 2-(2-methylprop-2-enoxy)propanoate (CID 166848387) is tert-butyl 2-(2-methylprop-2-enoxy)propanoate.
What is the SMILES notation for tert-butyl 2-(2-methylprop-2-enoxy)propanoate?
The canonical SMILES for tert-butyl 2-(2-methylprop-2-enoxy)propanoate is C=C(C)COC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylprop-2-enoxy)propanoate?
The InChIKey is IEFHGFOSUVWRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(2)7-13-9(3)10(12)14-11(4,5)6/h9H,1,7H2,2-6H3.
What are the key properties of tert-butyl 2-(2-methylprop-2-enoxy)propanoate?
tert-butyl 2-(2-methylprop-2-enoxy)propanoate has a molecular weight of 200.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylprop-2-enoxy)propanoate is sourced from PubChem (CID 166848387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).