benzene;tert-butyl 2-ethoxyacetate

C14H22O3 — CID 174357524

IUPACbenzene;tert-butyl 2-ethoxyacetate
SMILESCCOCC(=O)OC(C)(C)C.c1ccccc1
InChIInChI=1S/C8H16O3.C6H6/c1-5-10-6-7(9)11-8(2,3)4;1-2-4-6-5-3-1/h5-6H2,1-4H3;1-6H
InChIKeyBZCXZFWIODGCPT-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.05
Rot. Bonds3

About benzene;tert-butyl 2-ethoxyacetate

benzene;tert-butyl 2-ethoxyacetate (PubChem CID 174357524) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is benzene;tert-butyl 2-ethoxyacetate.

Molecular Properties

Compound Namebenzene;tert-butyl 2-ethoxyacetate
PubChem CID174357524
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Namebenzene;tert-butyl 2-ethoxyacetate
SMILESCCOCC(=O)OC(C)(C)C.c1ccccc1
InChIInChI=1S/C8H16O3.C6H6/c1-5-10-6-7(9)11-8(2,3)4;1-2-4-6-5-3-1/h5-6H2,1-4H3;1-6H
InChIKeyBZCXZFWIODGCPT-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;ethyl 2-ethoxyacetate
CID 174867683
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethanethioic S-acid
CID 89359351
tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate
CID 130424021
tert-butyl 2-(2-oxoethoxy)acetate
CID 170899308
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
tert-butyl 2-(2-chloroethoxy)acetate
CID 12573419
tert-butyl 2-(4-phenylmethoxybutoxy)acetate
CID 176906340
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-(3-hexoxypropoxy)acetate
CID 122428498
tert-butyl 2-pent-4-enoxyacetate
CID 15072345

Frequently Asked Questions

What is the IUPAC name of benzene;tert-butyl 2-ethoxyacetate?
The IUPAC name of benzene;tert-butyl 2-ethoxyacetate (CID 174357524) is benzene;tert-butyl 2-ethoxyacetate.
What is the SMILES notation for benzene;tert-butyl 2-ethoxyacetate?
The canonical SMILES for benzene;tert-butyl 2-ethoxyacetate is CCOCC(=O)OC(C)(C)C.c1ccccc1.
What is the InChIKey of benzene;tert-butyl 2-ethoxyacetate?
The InChIKey is BZCXZFWIODGCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C6H6/c1-5-10-6-7(9)11-8(2,3)4;1-2-4-6-5-3-1/h5-6H2,1-4H3;1-6H.
What are the key properties of benzene;tert-butyl 2-ethoxyacetate?
benzene;tert-butyl 2-ethoxyacetate has a molecular weight of 238.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tert-butyl 2-ethoxyacetate is sourced from PubChem (CID 174357524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).