ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate

C11H20O5 — CID 91695893

IUPACethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
SMILESCCOC(=O)COCC(=O)OCCC(C)C
InChIInChI=1S/C11H20O5/c1-4-15-10(12)7-14-8-11(13)16-6-5-9(2)3/h9H,4-8H2,1-3H3
InChIKeyDAPTWARVVWXOPX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.16
Rot. Bonds8

About ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate

ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate (PubChem CID 91695893) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
PubChem CID91695893
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
SMILESCCOC(=O)COCC(=O)OCCC(C)C
InChIInChI=1S/C11H20O5/c1-4-15-10(12)7-14-8-11(13)16-6-5-9(2)3/h9H,4-8H2,1-3H3
InChIKeyDAPTWARVVWXOPX-UHFFFAOYSA-N
XLogP1.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-methylbutoxy)acetyl]oxypropyl 2-(3-methylbutoxy)acetate
CID 174375629
7-methyloctyl 2-ethoxyacetate
CID 175943194
3-methylbutyl 2-propan-2-yloxyacetate
CID 59502419
ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91709862
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
decyl 2-[2-(3,7-dimethyloctoxy)-2-oxoethoxy]acetate
CID 91714977
3-methylbutyl 2-(4-ethoxyphenoxy)acetate
CID 78832256
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
2-methylpropyl 2-ethoxyacetate
CID 45108349
ethyl 2-butoxyacetate
CID 14419651
ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate
CID 86595203

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate?
The IUPAC name of ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate (CID 91695893) is ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate is CCOC(=O)COCC(=O)OCCC(C)C.
What is the InChIKey of ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate?
The InChIKey is DAPTWARVVWXOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-15-10(12)7-14-8-11(13)16-6-5-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate?
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate has a molecular weight of 232.28 g/mol, XLogP of 1.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate is sourced from PubChem (CID 91695893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).