tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate

C11H22O4 — CID 66338285

IUPACtert-butyl 2-(1-methoxypropan-2-yloxy)propanoate
SMILESCOCC(C)OC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22O4/c1-8(7-13-6)14-9(2)10(12)15-11(3,4)5/h8-9H,7H2,1-6H3
InChIKeyGNWZEOVLQMSMQA-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.77
Rot. Bonds5

About tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate

tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate (PubChem CID 66338285) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(1-methoxypropan-2-yloxy)propanoate
PubChem CID66338285
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nametert-butyl 2-(1-methoxypropan-2-yloxy)propanoate
SMILESCOCC(C)OC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22O4/c1-8(7-13-6)14-9(2)10(12)15-11(3,4)5/h8-9H,7H2,1-6H3
InChIKeyGNWZEOVLQMSMQA-UHFFFAOYSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 66337596
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
CID 115642073
tert-butyl 2-heptoxypropanoate
CID 66337184
tert-butyl 3-hydroxy-5-methoxy-2,3-dimethylpentanoate
CID 66337989
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
tert-butyl 2-(2-propoxyethoxy)propanoate
CID 66338102
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
tert-butyl (3S)-3-(methoxymethyl)-4-methylpentanoate
CID 123336860
1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927421
methyl 2-(1-methoxypropan-2-yloxy)butanoate
CID 42641525
tert-butyl 2-benzhydryloxypropanoate
CID 19020212

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate?
The IUPAC name of tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate (CID 66338285) is tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate.
What is the SMILES notation for tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate?
The canonical SMILES for tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate is COCC(C)OC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate?
The InChIKey is GNWZEOVLQMSMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-8(7-13-6)14-9(2)10(12)15-11(3,4)5/h8-9H,7H2,1-6H3.
What are the key properties of tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate?
tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate has a molecular weight of 218.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate is sourced from PubChem (CID 66338285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).