tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate

C12H24O3 — CID 66337083

IUPACtert-butyl 3-hydroxy-2,3,4-trimethylpentanoate
SMILESCC(C)C(C)(O)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24O3/c1-8(2)12(7,14)9(3)10(13)15-11(4,5)6/h8-9,14H,1-7H3
InChIKeyHEXBJRXJCPBVDB-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.37
Rot. Bonds3

About tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate

tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate (PubChem CID 66337083) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-2,3,4-trimethylpentanoate
PubChem CID66337083
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nametert-butyl 3-hydroxy-2,3,4-trimethylpentanoate
SMILESCC(C)C(C)(O)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24O3/c1-8(2)12(7,14)9(3)10(13)15-11(4,5)6/h8-9,14H,1-7H3
InChIKeyHEXBJRXJCPBVDB-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-methyl-3-oxopropanoate
CID 58446027
tert-butyl 3-hydroxy-2,3,6-trimethylheptanoate
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CID 66337989
tert-butyl 2-fluoropropanoate
CID 91554233
tert-butyl (2S)-2-bromopropanoate
CID 12882378
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CID 142726161
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
tert-butyl 2-bromo-3,3-dimethylbutanoate
CID 22003546
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate?
The IUPAC name of tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate (CID 66337083) is tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate.
What is the SMILES notation for tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate?
The canonical SMILES for tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate is CC(C)C(C)(O)C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate?
The InChIKey is HEXBJRXJCPBVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-8(2)12(7,14)9(3)10(13)15-11(4,5)6/h8-9,14H,1-7H3.
What are the key properties of tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate?
tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate has a molecular weight of 216.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate is sourced from PubChem (CID 66337083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).