ethyl 3-(2-butoxyethoxy)-2-methylpropanoate

C12H24O4 — CID 115002806

IUPACethyl 3-(2-butoxyethoxy)-2-methylpropanoate
SMILESCCCCOCCOCC(C)C(=O)OCC
InChIInChI=1S/C12H24O4/c1-4-6-7-14-8-9-15-10-11(3)12(13)16-5-2/h11H,4-10H2,1-3H3
InChIKeyBHCGQXYEIQCDJB-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.02
Rot. Bonds10

About ethyl 3-(2-butoxyethoxy)-2-methylpropanoate

ethyl 3-(2-butoxyethoxy)-2-methylpropanoate (PubChem CID 115002806) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl 3-(2-butoxyethoxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-butoxyethoxy)-2-methylpropanoate
PubChem CID115002806
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Nameethyl 3-(2-butoxyethoxy)-2-methylpropanoate
SMILESCCCCOCCOCC(C)C(=O)OCC
InChIInChI=1S/C12H24O4/c1-4-6-7-14-8-9-15-10-11(3)12(13)16-5-2/h11H,4-10H2,1-3H3
InChIKeyBHCGQXYEIQCDJB-UHFFFAOYSA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.02
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

ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
3-(2-butoxyethoxy)-2-methylpropanethioamide
CID 43175344
2-butoxyethyl 3-chloro-2-methylpropanoate
CID 175064019
propyl 2-methyl-3-propoxypropanoate
CID 54511577
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
CID 113427286
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-butoxyethoxy)-2-methylpropanoate?
The IUPAC name of ethyl 3-(2-butoxyethoxy)-2-methylpropanoate (CID 115002806) is ethyl 3-(2-butoxyethoxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(2-butoxyethoxy)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(2-butoxyethoxy)-2-methylpropanoate is CCCCOCCOCC(C)C(=O)OCC.
What is the InChIKey of ethyl 3-(2-butoxyethoxy)-2-methylpropanoate?
The InChIKey is BHCGQXYEIQCDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-6-7-14-8-9-15-10-11(3)12(13)16-5-2/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 3-(2-butoxyethoxy)-2-methylpropanoate?
ethyl 3-(2-butoxyethoxy)-2-methylpropanoate has a molecular weight of 232.32 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-butoxyethoxy)-2-methylpropanoate is sourced from PubChem (CID 115002806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).