[(2R)-butan-2-yl] (2R)-2-methylpentanoate

C10H20O2 — CID 173085565

IUPAC[(2R)-butan-2-yl] (2R)-2-methylpentanoate
SMILESCCC[C@@H](C)C(=O)O[C@H](C)CC
InChIInChI=1S/C10H20O2/c1-5-7-8(3)10(11)12-9(4)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyZCAYXIOWCSSXJX-RKDXNWHRSA-N
MW172.27 g/mol
LogP2.76
Rot. Bonds5

About [(2R)-butan-2-yl] (2R)-2-methylpentanoate

[(2R)-butan-2-yl] (2R)-2-methylpentanoate (PubChem CID 173085565) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(2R)-butan-2-yl] (2R)-2-methylpentanoate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] (2R)-2-methylpentanoate
PubChem CID173085565
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name[(2R)-butan-2-yl] (2R)-2-methylpentanoate
SMILESCCC[C@@H](C)C(=O)O[C@H](C)CC
InChIInChI=1S/C10H20O2/c1-5-7-8(3)10(11)12-9(4)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyZCAYXIOWCSSXJX-RKDXNWHRSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
butan-2-yl 2-amino-3-methylpentanoate
CID 60903336
1-carboxyoxyethyl 2-methylpentanoate
CID 153400834
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
butan-2-yl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 57119421
octadecan-2-yl 2-methylnonadecanoate
CID 58960721
butan-2-yl 2-chloropropanoate
CID 519977
pentan-2-yl (2R)-2-amino-3-methylbutanoate
CID 102982424
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
butan-2-yl 4-amino-2-hydroxybutanoate
CID 107837492
butan-2-yl (2R)-2-amino-4-hydroxybutanoate
CID 107825312

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] (2R)-2-methylpentanoate?
The IUPAC name of [(2R)-butan-2-yl] (2R)-2-methylpentanoate (CID 173085565) is [(2R)-butan-2-yl] (2R)-2-methylpentanoate.
What is the SMILES notation for [(2R)-butan-2-yl] (2R)-2-methylpentanoate?
The canonical SMILES for [(2R)-butan-2-yl] (2R)-2-methylpentanoate is CCC[C@@H](C)C(=O)O[C@H](C)CC.
What is the InChIKey of [(2R)-butan-2-yl] (2R)-2-methylpentanoate?
The InChIKey is ZCAYXIOWCSSXJX-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-7-8(3)10(11)12-9(4)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of [(2R)-butan-2-yl] (2R)-2-methylpentanoate?
[(2R)-butan-2-yl] (2R)-2-methylpentanoate has a molecular weight of 172.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] (2R)-2-methylpentanoate is sourced from PubChem (CID 173085565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).