tert-butyl 2-(2-chloroethoxy)acetate

C8H15ClO3 — CID 12573419

IUPACtert-butyl 2-(2-chloroethoxy)acetate
SMILESCC(C)(C)OC(=O)COCCCl
InChIInChI=1S/C8H15ClO3/c1-8(2,3)12-7(10)6-11-5-4-9/h4-6H2,1-3H3
InChIKeyWMVRQEMWJYRSNF-UHFFFAOYSA-N
MW194.66 g/mol
LogP1.58
Rot. Bonds4

About tert-butyl 2-(2-chloroethoxy)acetate

tert-butyl 2-(2-chloroethoxy)acetate (PubChem CID 12573419) has the molecular formula C8H15ClO3 and a molecular weight of 194.66 g/mol. Its IUPAC name is tert-butyl 2-(2-chloroethoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-chloroethoxy)acetate
PubChem CID12573419
Molecular FormulaC8H15ClO3
Molecular Weight194.66 g/mol
Exact Mass194.07
IUPAC Nametert-butyl 2-(2-chloroethoxy)acetate
SMILESCC(C)(C)OC(=O)COCCCl
InChIInChI=1S/C8H15ClO3/c1-8(2,3)12-7(10)6-11-5-4-9/h4-6H2,1-3H3
InChIKeyWMVRQEMWJYRSNF-UHFFFAOYSA-N
XLogP1.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
methyl 2-(2-chloroethoxy)acetate
CID 15337474
tert-butyl 2-(3-hydroxybutoxy)acetate
CID 175472725
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
tert-butyl 2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
CID 170899127
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethanethioic S-acid
CID 89359351
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 tert-butyl 2-(2-chloroethoxy)acetate?
The IUPAC name of tert-butyl 2-(2-chloroethoxy)acetate (CID 12573419) is tert-butyl 2-(2-chloroethoxy)acetate.
What is the SMILES notation for tert-butyl 2-(2-chloroethoxy)acetate?
The canonical SMILES for tert-butyl 2-(2-chloroethoxy)acetate is CC(C)(C)OC(=O)COCCCl.
What is the InChIKey of tert-butyl 2-(2-chloroethoxy)acetate?
The InChIKey is WMVRQEMWJYRSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3/c1-8(2,3)12-7(10)6-11-5-4-9/h4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(2-chloroethoxy)acetate?
tert-butyl 2-(2-chloroethoxy)acetate has a molecular weight of 194.66 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-chloroethoxy)acetate is sourced from PubChem (CID 12573419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).