propan-2-yl (2R)-2,3,3-trimethylbutanoate

C10H20O2 — CID 59132044

IUPACpropan-2-yl (2R)-2,3,3-trimethylbutanoate
SMILESCC(C)OC(=O)[C@H](C)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-7(2)12-9(11)8(3)10(4,5)6/h7-8H,1-6H3/t8-/m0/s1
InChIKeyLKNHHOIDHPJFPJ-QMMMGPOBSA-N
MW172.27 g/mol
LogP2.62
Rot. Bonds2

About propan-2-yl (2R)-2,3,3-trimethylbutanoate

propan-2-yl (2R)-2,3,3-trimethylbutanoate (PubChem CID 59132044) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is propan-2-yl (2R)-2,3,3-trimethylbutanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2,3,3-trimethylbutanoate
PubChem CID59132044
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namepropan-2-yl (2R)-2,3,3-trimethylbutanoate
SMILESCC(C)OC(=O)[C@H](C)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-7(2)12-9(11)8(3)10(4,5)6/h7-8H,1-6H3/t8-/m0/s1
InChIKeyLKNHHOIDHPJFPJ-QMMMGPOBSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 3,3,3-trifluoro-2-methylpropanoate
CID 13183702
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
propan-2-yl (2S)-2-hydroxy-3-methylbutanoate
CID 87171690
[methyl(2,3,3-trimethylbutanoyloxy)amino] 2,3,3-trimethylbutanoate
CID 123135707
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
(2R)-2,3,3-trimethylbutanamide
CID 11579125
propan-2-yl 2-aminopropanoate
CID 11804791
(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
CID 143175420
1-O-propan-2-yl 5-O-prop-2-ynyl 2,3,3,4-tetramethylpentanedioate
CID 134419587
propan-2-yl 2-tert-butyl-4,4-dimethylhexanoate
CID 89367103
(4-propan-2-ylcyclohexyl) 2,3,3-trimethylbutanoate
CID 123610766

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2,3,3-trimethylbutanoate?
The IUPAC name of propan-2-yl (2R)-2,3,3-trimethylbutanoate (CID 59132044) is propan-2-yl (2R)-2,3,3-trimethylbutanoate.
What is the SMILES notation for propan-2-yl (2R)-2,3,3-trimethylbutanoate?
The canonical SMILES for propan-2-yl (2R)-2,3,3-trimethylbutanoate is CC(C)OC(=O)[C@H](C)C(C)(C)C.
What is the InChIKey of propan-2-yl (2R)-2,3,3-trimethylbutanoate?
The InChIKey is LKNHHOIDHPJFPJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)12-9(11)8(3)10(4,5)6/h7-8H,1-6H3/t8-/m0/s1.
What are the key properties of propan-2-yl (2R)-2,3,3-trimethylbutanoate?
propan-2-yl (2R)-2,3,3-trimethylbutanoate has a molecular weight of 172.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2,3,3-trimethylbutanoate is sourced from PubChem (CID 59132044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).