2,2-dimethylpropyl 2-methoxyacetate

C8H16O3 — CID 542358

IUPAC2,2-dimethylpropyl 2-methoxyacetate
SMILESCOCC(=O)OCC(C)(C)C
InChIInChI=1S/C8H16O3/c1-8(2,3)6-11-7(9)5-10-4/h5-6H2,1-4H3
InChIKeyCQVKOGIHNRETEK-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.22
Rot. Bonds3

About 2,2-dimethylpropyl 2-methoxyacetate

2,2-dimethylpropyl 2-methoxyacetate (PubChem CID 542358) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-methoxyacetate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-methoxyacetate
PubChem CID542358
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2,2-dimethylpropyl 2-methoxyacetate
SMILESCOCC(=O)OCC(C)(C)C
InChIInChI=1S/C8H16O3/c1-8(2,3)6-11-7(9)5-10-4/h5-6H2,1-4H3
InChIKeyCQVKOGIHNRETEK-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate
CID 140890180
2,2-dimethylpropyl 2-cyanoacetate
CID 19389183
CID 172843337
CID 172843337
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
2,2-dimethylpropyl 5-(2-methoxyethoxy)pentanoate
CID 147908523
2,2-dimethylpropyl acetate
CID 13552
2,2-dimethylpropyl butanoate;yttrium
CID 58176061
2,2-dimethylpropyl 5,5-dimethyl-4-oxohexanoate
CID 90394220
2,4,4-trimethylpentan-2-yl 2-methoxyacetate
CID 141070664
heptadecyl 2-[2-(2,2-dimethylpropoxy)-2-oxoethoxy]acetate
CID 91696026
2,2-dimethylpropyl carboniodidate
CID 71320370
tert-butyl 2-methoxyethaneperoxoate
CID 22323612

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-methoxyacetate?
The IUPAC name of 2,2-dimethylpropyl 2-methoxyacetate (CID 542358) is 2,2-dimethylpropyl 2-methoxyacetate.
What is the SMILES notation for 2,2-dimethylpropyl 2-methoxyacetate?
The canonical SMILES for 2,2-dimethylpropyl 2-methoxyacetate is COCC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 2-methoxyacetate?
The InChIKey is CQVKOGIHNRETEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2,3)6-11-7(9)5-10-4/h5-6H2,1-4H3.
What are the key properties of 2,2-dimethylpropyl 2-methoxyacetate?
2,2-dimethylpropyl 2-methoxyacetate has a molecular weight of 160.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-methoxyacetate is sourced from PubChem (CID 542358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).