2-ethoxyethyl 2,3,3-trimethylbutanoate

C11H22O3 — CID 87160003

IUPAC2-ethoxyethyl 2,3,3-trimethylbutanoate
SMILESCCOCCOC(=O)C(C)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-6-13-7-8-14-10(12)9(2)11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyUPEVFDYBOPYJQR-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.25
Rot. Bonds5

About 2-ethoxyethyl 2,3,3-trimethylbutanoate

2-ethoxyethyl 2,3,3-trimethylbutanoate (PubChem CID 87160003) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-ethoxyethyl 2,3,3-trimethylbutanoate.

Molecular Properties

Compound Name2-ethoxyethyl 2,3,3-trimethylbutanoate
PubChem CID87160003
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-ethoxyethyl 2,3,3-trimethylbutanoate
SMILESCCOCCOC(=O)C(C)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-6-13-7-8-14-10(12)9(2)11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyUPEVFDYBOPYJQR-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate
CID 166669949
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
trimethyl-[2-(2,3,3-trimethylbutanoyloxy)ethyl]azanium
CID 20759371
2-ethoxyethyl 2-formyl-2,4-dimethylpentanoate
CID 57075664
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086
3-(2,3,3-trimethylbutanoyloxy)propane-1-sulfonic acid
CID 89331027

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2,3,3-trimethylbutanoate?
The IUPAC name of 2-ethoxyethyl 2,3,3-trimethylbutanoate (CID 87160003) is 2-ethoxyethyl 2,3,3-trimethylbutanoate.
What is the SMILES notation for 2-ethoxyethyl 2,3,3-trimethylbutanoate?
The canonical SMILES for 2-ethoxyethyl 2,3,3-trimethylbutanoate is CCOCCOC(=O)C(C)C(C)(C)C.
What is the InChIKey of 2-ethoxyethyl 2,3,3-trimethylbutanoate?
The InChIKey is UPEVFDYBOPYJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-13-7-8-14-10(12)9(2)11(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-ethoxyethyl 2,3,3-trimethylbutanoate?
2-ethoxyethyl 2,3,3-trimethylbutanoate has a molecular weight of 202.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2,3,3-trimethylbutanoate is sourced from PubChem (CID 87160003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).