2-butanoyloxyethyl 2-bromo-2-methylpropanoate

C10H17BrO4 — CID 177392041

IUPAC2-butanoyloxyethyl 2-bromo-2-methylpropanoate
SMILESCCCC(=O)OCCOC(=O)C(C)(C)Br
InChIInChI=1S/C10H17BrO4/c1-4-5-8(12)14-6-7-15-9(13)10(2,3)11/h4-7H2,1-3H3
InChIKeyVHUYXPHXEJGOLZ-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.05
Rot. Bonds6

About 2-butanoyloxyethyl 2-bromo-2-methylpropanoate

2-butanoyloxyethyl 2-bromo-2-methylpropanoate (PubChem CID 177392041) has the molecular formula C10H17BrO4 and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-butanoyloxyethyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name2-butanoyloxyethyl 2-bromo-2-methylpropanoate
PubChem CID177392041
Molecular FormulaC10H17BrO4
Molecular Weight281.15 g/mol
Exact Mass280.03
IUPAC Name2-butanoyloxyethyl 2-bromo-2-methylpropanoate
SMILESCCCC(=O)OCCOC(=O)C(C)(C)Br
InChIInChI=1S/C10H17BrO4/c1-4-5-8(12)14-6-7-15-9(13)10(2,3)11/h4-7H2,1-3H3
InChIKeyVHUYXPHXEJGOLZ-UHFFFAOYSA-N
XLogP2.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-butanoyloxyethyl butanoate;methane
CID 161018761
2-carboxyoxyethyl butanoate
CID 140975603
undecyl 2-bromo-2-methylpropanoate
CID 87551125
octadecyl 2-bromo-2-methylpropanoate
CID 71310893
methane;propyl butanoate
CID 157187060
2-[2-(2-bromo-2-methylpropanoyl)oxyethyl-methylamino]ethyl 2-bromo-2-methylpropanoate
CID 102025529
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
CID 11038281
CID 175569451
CID 175569451
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
pentyl butanoate
CID 10890
[2-(2-butanoyloxyethoxy)-2-oxoethyl]-diethylsulfanium
CID 58780124
2-(2-butanoyloxyethoxy)ethyl pentanoate
CID 90142854

Frequently Asked Questions

What is the IUPAC name of 2-butanoyloxyethyl 2-bromo-2-methylpropanoate?
The IUPAC name of 2-butanoyloxyethyl 2-bromo-2-methylpropanoate (CID 177392041) is 2-butanoyloxyethyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 2-butanoyloxyethyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 2-butanoyloxyethyl 2-bromo-2-methylpropanoate is CCCC(=O)OCCOC(=O)C(C)(C)Br.
What is the InChIKey of 2-butanoyloxyethyl 2-bromo-2-methylpropanoate?
The InChIKey is VHUYXPHXEJGOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO4/c1-4-5-8(12)14-6-7-15-9(13)10(2,3)11/h4-7H2,1-3H3.
What are the key properties of 2-butanoyloxyethyl 2-bromo-2-methylpropanoate?
2-butanoyloxyethyl 2-bromo-2-methylpropanoate has a molecular weight of 281.15 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyloxyethyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 177392041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).