2-ethoxyethyl (2R)-2-methylbutanoate

C9H18O3 — CID 59033497

IUPAC2-ethoxyethyl (2R)-2-methylbutanoate
SMILESCCOCCOC(=O)[C@H](C)CC
InChIInChI=1S/C9H18O3/c1-4-8(3)9(10)12-7-6-11-5-2/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyAAXXLILCYJPYIK-MRVPVSSYSA-N
MW174.24 g/mol
LogP1.61
Rot. Bonds6

About 2-ethoxyethyl (2R)-2-methylbutanoate

2-ethoxyethyl (2R)-2-methylbutanoate (PubChem CID 59033497) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-ethoxyethyl (2R)-2-methylbutanoate.

Molecular Properties

Compound Name2-ethoxyethyl (2R)-2-methylbutanoate
PubChem CID59033497
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-ethoxyethyl (2R)-2-methylbutanoate
SMILESCCOCCOC(=O)[C@H](C)CC
InChIInChI=1S/C9H18O3/c1-4-8(3)9(10)12-7-6-11-5-2/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyAAXXLILCYJPYIK-MRVPVSSYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.61
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

[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
CID 131967149
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
propyl (2R)-2-methylbutanoate
CID 86306230
2-[2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]butoxy]ethyl 2-methylbutanoate
CID 131979541
2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate
CID 166669949
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,3-dioxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 170008807
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
ethane;ethyl 2-methylbutanoate
CID 144747106
hydroperoxy-[2-(2-methylbutanoyloxy)ethoxymethyl]phosphinic acid
CID 91109669
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl (2R)-2-methylbutanoate?
The IUPAC name of 2-ethoxyethyl (2R)-2-methylbutanoate (CID 59033497) is 2-ethoxyethyl (2R)-2-methylbutanoate.
What is the SMILES notation for 2-ethoxyethyl (2R)-2-methylbutanoate?
The canonical SMILES for 2-ethoxyethyl (2R)-2-methylbutanoate is CCOCCOC(=O)[C@H](C)CC.
What is the InChIKey of 2-ethoxyethyl (2R)-2-methylbutanoate?
The InChIKey is AAXXLILCYJPYIK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-8(3)9(10)12-7-6-11-5-2/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-ethoxyethyl (2R)-2-methylbutanoate?
2-ethoxyethyl (2R)-2-methylbutanoate has a molecular weight of 174.24 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl (2R)-2-methylbutanoate is sourced from PubChem (CID 59033497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).