ethyl (2R)-2,3,3-trimethylbutanoate

C9H18O2 — CID 59132263

IUPACethyl (2R)-2,3,3-trimethylbutanoate
SMILESCCOC(=O)[C@H](C)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-6-11-8(10)7(2)9(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyRJVVJFUOVLJSET-ZETCQYMHSA-N
MW158.24 g/mol
LogP2.23
Rot. Bonds2

About ethyl (2R)-2,3,3-trimethylbutanoate

ethyl (2R)-2,3,3-trimethylbutanoate (PubChem CID 59132263) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is ethyl (2R)-2,3,3-trimethylbutanoate.

Molecular Properties

Compound Nameethyl (2R)-2,3,3-trimethylbutanoate
PubChem CID59132263
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nameethyl (2R)-2,3,3-trimethylbutanoate
SMILESCCOC(=O)[C@H](C)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-6-11-8(10)7(2)9(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyRJVVJFUOVLJSET-ZETCQYMHSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
ethyl 3,3-dimethyl-2-propan-2-ylbutanoate
CID 523552
butyl (2R)-2-tert-butyl-4-methylpentanoate;butyl (2R)-2,3,3-trimethylbutanoate;ethyl (2R)-2-tert-butyl-4-methylpentanoate
CID 161231899
propan-2-yl (2R)-2,3,3-trimethylbutanoate
CID 59132044
trimethyl-[2-(2,3,3-trimethylbutanoyloxy)ethyl]azanium
CID 20759371
diethyl 2-methylpropanedioate;zirconium
CID 174876844
diethyl 2-(1,1-difluoro-2-methylpropan-2-yl)propanedioate
CID 129050677
ethyl 2-formyl-3,3-dimethylbutanoate
CID 90419513
diethyl 2-(dicyanomethyl)-2,3-dimethylbutanedioate
CID 170904307
3-(2,3,3-trimethylbutanoyloxy)propane-1-sulfonic acid
CID 89331027
ethyl (2R)-2-bromopropanoate
CID 7003709
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2,3,3-trimethylbutanoate?
The IUPAC name of ethyl (2R)-2,3,3-trimethylbutanoate (CID 59132263) is ethyl (2R)-2,3,3-trimethylbutanoate.
What is the SMILES notation for ethyl (2R)-2,3,3-trimethylbutanoate?
The canonical SMILES for ethyl (2R)-2,3,3-trimethylbutanoate is CCOC(=O)[C@H](C)C(C)(C)C.
What is the InChIKey of ethyl (2R)-2,3,3-trimethylbutanoate?
The InChIKey is RJVVJFUOVLJSET-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18O2/c1-6-11-8(10)7(2)9(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of ethyl (2R)-2,3,3-trimethylbutanoate?
ethyl (2R)-2,3,3-trimethylbutanoate has a molecular weight of 158.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2,3,3-trimethylbutanoate is sourced from PubChem (CID 59132263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).