tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate

C14H28O4 — CID 176640180

IUPACtert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
SMILESCC(C)(C)CCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C14H28O4/c1-13(2,3)7-8-16-9-10-17-11-12(15)18-14(4,5)6/h7-11H2,1-6H3
InChIKeyOKAFQCVZYDEAQH-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.80
Rot. Bonds7

About tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate

tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate (PubChem CID 176640180) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
PubChem CID176640180
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Nametert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
SMILESCC(C)(C)CCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C14H28O4/c1-13(2,3)7-8-16-9-10-17-11-12(15)18-14(4,5)6/h7-11H2,1-6H3
InChIKeyOKAFQCVZYDEAQH-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
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-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
CID 170899127
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
tert-butyl 2-(2-chloroethoxy)acetate
CID 12573419
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
tert-butyl 2-[2-(2-acetylsulfanylethoxy)ethoxy]acetate
CID 167520638
tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate
CID 126602178
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 170910731
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate (CID 176640180) is tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate is CC(C)(C)CCOCCOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate?
The InChIKey is OKAFQCVZYDEAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-13(2,3)7-8-16-9-10-17-11-12(15)18-14(4,5)6/h7-11H2,1-6H3.
What are the key properties of tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate?
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate has a molecular weight of 260.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate is sourced from PubChem (CID 176640180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).