ethyl 2-butoxyacetate

C8H16O3 — CID 14419651

IUPACethyl 2-butoxyacetate
SMILESCCCCOCC(=O)OCC
InChIInChI=1S/C8H16O3/c1-3-5-6-10-7-8(9)11-4-2/h3-7H2,1-2H3
InChIKeySVBSJWKYFYUHTF-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.37
Rot. Bonds6

About ethyl 2-butoxyacetate

ethyl 2-butoxyacetate (PubChem CID 14419651) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl 2-butoxyacetate.

Molecular Properties

Compound Nameethyl 2-butoxyacetate
PubChem CID14419651
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl 2-butoxyacetate
SMILESCCCCOCC(=O)OCC
InChIInChI=1S/C8H16O3/c1-3-5-6-10-7-8(9)11-4-2/h3-7H2,1-2H3
InChIKeySVBSJWKYFYUHTF-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.37
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 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
ethyl 2-(3-sulfanylpropoxy)acetate
CID 134600079
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
ethane;ethyl 2-(13-aminotridecoxy)acetate
CID 144962312
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
ethyl 16-butoxyhexadecanoate
CID 56991029
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
methyl 2-(2-butoxyethoxy)acetate
CID 21093221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-butoxyacetate?
The IUPAC name of ethyl 2-butoxyacetate (CID 14419651) is ethyl 2-butoxyacetate.
What is the SMILES notation for ethyl 2-butoxyacetate?
The canonical SMILES for ethyl 2-butoxyacetate is CCCCOCC(=O)OCC.
What is the InChIKey of ethyl 2-butoxyacetate?
The InChIKey is SVBSJWKYFYUHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-5-6-10-7-8(9)11-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-butoxyacetate?
ethyl 2-butoxyacetate has a molecular weight of 160.21 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-butoxyacetate is sourced from PubChem (CID 14419651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).