tert-butyl (3R)-3-methylpentanoate

C10H20O2 — CID 158245009

IUPACtert-butyl (3R)-3-methylpentanoate
SMILESCC[C@@H](C)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O2/c1-6-8(2)7-9(11)12-10(3,4)5/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyLWQNXUAWUWNWTF-MRVPVSSYSA-N
MW172.27 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl (3R)-3-methylpentanoate

tert-butyl (3R)-3-methylpentanoate (PubChem CID 158245009) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-methylpentanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-methylpentanoate
PubChem CID158245009
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nametert-butyl (3R)-3-methylpentanoate
SMILESCC[C@@H](C)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O2/c1-6-8(2)7-9(11)12-10(3,4)5/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyLWQNXUAWUWNWTF-MRVPVSSYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

(2S,4R)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hexanoic acid
CID 54311211
(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 139971647
tert-butyl (3S)-4-hydroxy-3-methylhexanoate
CID 59153209
tert-butyl 3-methyloctanoate
CID 118562795
(2S)-2-(3-methylpentanoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 104982230
(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
CID 122408523
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl 3,3,5-trimethylheptanoate
CID 90721899
2-piperidin-1-ium-4-ylpropan-2-yl 3-methylpentanoate
CID 167315018
(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 12602165
ethyl (3R)-3-methylpentanoate
CID 7567160
tert-butyl 3,5-dimethyldodecanoate
CID 118536069

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-methylpentanoate?
The IUPAC name of tert-butyl (3R)-3-methylpentanoate (CID 158245009) is tert-butyl (3R)-3-methylpentanoate.
What is the SMILES notation for tert-butyl (3R)-3-methylpentanoate?
The canonical SMILES for tert-butyl (3R)-3-methylpentanoate is CC[C@@H](C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-methylpentanoate?
The InChIKey is LWQNXUAWUWNWTF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-8(2)7-9(11)12-10(3,4)5/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of tert-butyl (3R)-3-methylpentanoate?
tert-butyl (3R)-3-methylpentanoate has a molecular weight of 172.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-methylpentanoate is sourced from PubChem (CID 158245009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).