tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate

C12H24O3 — CID 12923316

IUPACtert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(COC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24O3/c1-9(8-14-11(2,3)4)10(13)15-12(5,6)7/h9H,8H2,1-7H3
InChIKeyDEQPYOMJXPVMPD-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.78
Rot. Bonds3

About tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate

tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 12923316) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID12923316
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nametert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(COC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24O3/c1-9(8-14-11(2,3)4)10(13)15-12(5,6)7/h9H,8H2,1-7H3
InChIKeyDEQPYOMJXPVMPD-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2,4,4-trimethylpentanoate
CID 89244409
tert-butyl (2S)-2-methyl-3-sulfanylpropanoate
CID 22860483
tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate
CID 59096152
tert-butyl 2-methyl-5-(methylamino)pentanoate
CID 174255913
tert-butyl 3-(tert-butylamino)-2-methylpropanoate
CID 46318602
tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
CID 118703214
methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 162342994
tert-butyl 4-hydrazinyl-2-methylbutanoate;hydrochloride
CID 118703211
tert-butyl 2-[[amino(2-methylpropyl)carbamoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 137379314
tert-butyl (2S)-2-methyl-3-oxopropanoate
CID 58446027
tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate
CID 66337083
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 87709759

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 12923316) is tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate is CC(COC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is DEQPYOMJXPVMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-9(8-14-11(2,3)4)10(13)15-12(5,6)7/h9H,8H2,1-7H3.
What are the key properties of tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate?
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 216.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 12923316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).