propyl (2R)-2-methylbutanoate

C8H16O2 — CID 86306230

IUPACpropyl (2R)-2-methylbutanoate
SMILESCCCOC(=O)[C@H](C)CC
InChIInChI=1S/C8H16O2/c1-4-6-10-8(9)7(3)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyTZFQMSDUSOTCJC-SSDOTTSWSA-N
MW144.21 g/mol
LogP1.99
Rot. Bonds4

About propyl (2R)-2-methylbutanoate

propyl (2R)-2-methylbutanoate (PubChem CID 86306230) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is propyl (2R)-2-methylbutanoate.

Molecular Properties

Compound Namepropyl (2R)-2-methylbutanoate
PubChem CID86306230
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namepropyl (2R)-2-methylbutanoate
SMILESCCCOC(=O)[C@H](C)CC
InChIInChI=1S/C8H16O2/c1-4-6-10-8(9)7(3)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyTZFQMSDUSOTCJC-SSDOTTSWSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 3-amino-2-methylpropanoate
CID 54192704
ethane;ethyl 2-methylbutanoate
CID 144747106
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
3-methylpentyl 2-methylbutanoate
CID 3019319
3-[(2R)-2-methylbutanoyl]oxypropanoic acid
CID 89148058
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067
propyl 2-methylhexanoate
CID 15464658
propyl 2-methyl-3-propoxypropanoate
CID 54511577
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
3-hydroxypropyl 2-methylbutanoate;octadecyl 2-methylbutanoate
CID 91132998

Frequently Asked Questions

What is the IUPAC name of propyl (2R)-2-methylbutanoate?
The IUPAC name of propyl (2R)-2-methylbutanoate (CID 86306230) is propyl (2R)-2-methylbutanoate.
What is the SMILES notation for propyl (2R)-2-methylbutanoate?
The canonical SMILES for propyl (2R)-2-methylbutanoate is CCCOC(=O)[C@H](C)CC.
What is the InChIKey of propyl (2R)-2-methylbutanoate?
The InChIKey is TZFQMSDUSOTCJC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6-10-8(9)7(3)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of propyl (2R)-2-methylbutanoate?
propyl (2R)-2-methylbutanoate has a molecular weight of 144.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-2-methylbutanoate is sourced from PubChem (CID 86306230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).