ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate

C14H26O5 — CID 91693607

IUPACethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate
SMILESCCOC(=O)COCC(=O)OCC(C)CC(C)(C)C
InChIInChI=1S/C14H26O5/c1-6-18-12(15)9-17-10-13(16)19-8-11(2)7-14(3,4)5/h11H,6-10H2,1-5H3
InChIKeyPIWQMEWLHIBKNH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds8

About ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate

ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate (PubChem CID 91693607) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate
PubChem CID91693607
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Nameethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate
SMILESCCOC(=O)COCC(=O)OCC(C)CC(C)(C)C
InChIInChI=1S/C14H26O5/c1-6-18-12(15)9-17-10-13(16)19-8-11(2)7-14(3,4)5/h11H,6-10H2,1-5H3
InChIKeyPIWQMEWLHIBKNH-UHFFFAOYSA-N
XLogP2.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate (CID 91693607) is ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate is CCOC(=O)COCC(=O)OCC(C)CC(C)(C)C.
What is the InChIKey of ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate?
The InChIKey is PIWQMEWLHIBKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-6-18-12(15)9-17-10-13(16)19-8-11(2)7-14(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate?
ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate has a molecular weight of 274.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate is sourced from PubChem (CID 91693607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).