tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate

C13H24O4 — CID 130424021

IUPACtert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate
SMILESC=C(COCC(=O)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H24O4/c1-10(16-12(2,3)4)8-15-9-11(14)17-13(5,6)7/h1,8-9H2,2-7H3
InChIKeyCCXXVCPVJWKREN-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.67
Rot. Bonds5

About tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate

tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate (PubChem CID 130424021) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate
PubChem CID130424021
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nametert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate
SMILESC=C(COCC(=O)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H24O4/c1-10(16-12(2,3)4)8-15-9-11(14)17-13(5,6)7/h1,8-9H2,2-7H3
InChIKeyCCXXVCPVJWKREN-UHFFFAOYSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethanethioic S-acid
CID 89359351
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
tert-butyl 2-(2-oxoethoxy)acetate
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tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
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CID 174357524
tert-butyl 2-(2-chloroethoxy)acetate
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tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
tert-butyl 2-pent-4-enoxyacetate
CID 15072345
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
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CID 175472725

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate (CID 130424021) is tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate is C=C(COCC(=O)OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate?
The InChIKey is CCXXVCPVJWKREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-10(16-12(2,3)4)8-15-9-11(14)17-13(5,6)7/h1,8-9H2,2-7H3.
What are the key properties of tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate?
tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate has a molecular weight of 244.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate is sourced from PubChem (CID 130424021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).