methyl (2R)-2-ethyl-2,3-dimethylbutanoate

C9H18O2 — CID 118967887

IUPACmethyl (2R)-2-ethyl-2,3-dimethylbutanoate
SMILESCC[C@@](C)(C(=O)OC)C(C)C
InChIInChI=1S/C9H18O2/c1-6-9(4,7(2)3)8(10)11-5/h7H,6H2,1-5H3/t9-/m1/s1
InChIKeyZBGIJDVRQOQUAP-SECBINFHSA-N
MW158.24 g/mol
LogP2.23
Rot. Bonds3

About methyl (2R)-2-ethyl-2,3-dimethylbutanoate

methyl (2R)-2-ethyl-2,3-dimethylbutanoate (PubChem CID 118967887) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is methyl (2R)-2-ethyl-2,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-ethyl-2,3-dimethylbutanoate
PubChem CID118967887
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namemethyl (2R)-2-ethyl-2,3-dimethylbutanoate
SMILESCC[C@@](C)(C(=O)OC)C(C)C
InChIInChI=1S/C9H18O2/c1-6-9(4,7(2)3)8(10)11-5/h7H,6H2,1-5H3/t9-/m1/s1
InChIKeyZBGIJDVRQOQUAP-SECBINFHSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-ethyl-2,3-dimethylpentanoate
CID 23269301
propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455
methane;methyl 2,2-dimethylbutanoate
CID 161256043
methyl 2-(aminomethyl)-3-fluoro-2-methylbutanoate
CID 105432092
dimethyl 2,2-di(propan-2-yl)propanedioate
CID 22899345
2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate
CID 144974044
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259
methyl 2-methoxy-2,3-dimethylbutanoate
CID 59972485
methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
CID 160630630
methyl 2-ethyl-5-hydroxy-2-methyl-3-oxohexanoate
CID 167377037
methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
CID 88933353
1-(butan-2-ylamino)-3-ethyl-3,4-dimethylpentan-2-one
CID 118265066

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethyl-2,3-dimethylbutanoate?
The IUPAC name of methyl (2R)-2-ethyl-2,3-dimethylbutanoate (CID 118967887) is methyl (2R)-2-ethyl-2,3-dimethylbutanoate.
What is the SMILES notation for methyl (2R)-2-ethyl-2,3-dimethylbutanoate?
The canonical SMILES for methyl (2R)-2-ethyl-2,3-dimethylbutanoate is CC[C@@](C)(C(=O)OC)C(C)C.
What is the InChIKey of methyl (2R)-2-ethyl-2,3-dimethylbutanoate?
The InChIKey is ZBGIJDVRQOQUAP-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O2/c1-6-9(4,7(2)3)8(10)11-5/h7H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-ethyl-2,3-dimethylbutanoate?
methyl (2R)-2-ethyl-2,3-dimethylbutanoate has a molecular weight of 158.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-ethyl-2,3-dimethylbutanoate is sourced from PubChem (CID 118967887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).