ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate

C10H20O3 — CID 134571182

IUPACethyl (2R)-2-methyl-4-propan-2-yloxybutanoate
SMILESCCOC(=O)[C@H](C)CCOC(C)C
InChIInChI=1S/C10H20O3/c1-5-12-10(11)9(4)6-7-13-8(2)3/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyJIUJDIXWXSYVAL-SECBINFHSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds6

About ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate

ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate (PubChem CID 134571182) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-4-propan-2-yloxybutanoate
PubChem CID134571182
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethyl (2R)-2-methyl-4-propan-2-yloxybutanoate
SMILESCCOC(=O)[C@H](C)CCOC(C)C
InChIInChI=1S/C10H20O3/c1-5-12-10(11)9(4)6-7-13-8(2)3/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyJIUJDIXWXSYVAL-SECBINFHSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-methyl-4-pentadecan-8-yloxybutanoate
CID 138729147
ethyl 2-methylhexanoate
CID 12714009
ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
diethyl (2S)-2-methylpentanedioate
CID 89120789
ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
CID 63038922
ethyl 2-methyl-5-oxopentanoate
CID 57121376
ethyl 5-chloro-2-methyl-5-oxopentanoate
CID 13065957
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 2-amino-3-ethoxybutanoate
CID 163483403
ethyl 4-propan-2-yloxybutanoate
CID 59323565
diethyl 2-methylhexanedioate
CID 568427
ethyl (2S)-3-bromo-2-methylpropanoate
CID 12730420

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate?
The IUPAC name of ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate (CID 134571182) is ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate.
What is the SMILES notation for ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate?
The canonical SMILES for ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate is CCOC(=O)[C@H](C)CCOC(C)C.
What is the InChIKey of ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate?
The InChIKey is JIUJDIXWXSYVAL-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-12-10(11)9(4)6-7-13-8(2)3/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate?
ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate has a molecular weight of 188.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate is sourced from PubChem (CID 134571182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).