2-methylpropyl 2-ethoxyacetate

C8H16O3 — CID 45108349

IUPAC2-methylpropyl 2-ethoxyacetate
SMILESCCOCC(=O)OCC(C)C
InChIInChI=1S/C8H16O3/c1-4-10-6-8(9)11-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyVOQNGKPASNBGCX-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.22
Rot. Bonds5

About 2-methylpropyl 2-ethoxyacetate

2-methylpropyl 2-ethoxyacetate (PubChem CID 45108349) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-methylpropyl 2-ethoxyacetate.

Molecular Properties

Compound Name2-methylpropyl 2-ethoxyacetate
PubChem CID45108349
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-methylpropyl 2-ethoxyacetate
SMILESCCOCC(=O)OCC(C)C
InChIInChI=1S/C8H16O3/c1-4-10-6-8(9)11-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyVOQNGKPASNBGCX-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
CID 91693511
2-methylpropyl 5-ethoxypentanoate
CID 134561758
7-methyloctyl 2-ethoxyacetate
CID 175943194
benzene;ethyl 2-ethoxyacetate
CID 174867683
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-methylpropyl 2-(2-octan-2-yloxy-2-oxoethoxy)acetate
CID 91693507
bis(2-methylpropyl) (2S)-2-aminobutanedioate
CID 15607405
butyl 2-[2-(2-methylpropoxy)ethoxy]acetate
CID 106446661
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate
CID 54481908
4-O-(2-ethylbutyl) 1-O-(2-methylpropyl) butanedioate
CID 91701587

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-ethoxyacetate?
The IUPAC name of 2-methylpropyl 2-ethoxyacetate (CID 45108349) is 2-methylpropyl 2-ethoxyacetate.
What is the SMILES notation for 2-methylpropyl 2-ethoxyacetate?
The canonical SMILES for 2-methylpropyl 2-ethoxyacetate is CCOCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-ethoxyacetate?
The InChIKey is VOQNGKPASNBGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-10-6-8(9)11-5-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-methylpropyl 2-ethoxyacetate?
2-methylpropyl 2-ethoxyacetate has a molecular weight of 160.21 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-ethoxyacetate is sourced from PubChem (CID 45108349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).