propan-2-yl 2-methylbutanoate

C8H16O2 — CID 522214

IUPACpropan-2-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)C
InChIInChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
InChIKeyDIRDKDDFAMNBNY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.98
Rot. Bonds3

About propan-2-yl 2-methylbutanoate

propan-2-yl 2-methylbutanoate (PubChem CID 522214) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is propan-2-yl 2-methylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2-methylbutanoate
PubChem CID522214
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namepropan-2-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)C
InChIInChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
InChIKeyDIRDKDDFAMNBNY-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methylbutanoate?
The IUPAC name of propan-2-yl 2-methylbutanoate (CID 522214) is propan-2-yl 2-methylbutanoate.
What is the SMILES notation for propan-2-yl 2-methylbutanoate?
The canonical SMILES for propan-2-yl 2-methylbutanoate is CCC(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methylbutanoate?
The InChIKey is DIRDKDDFAMNBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of propan-2-yl 2-methylbutanoate?
propan-2-yl 2-methylbutanoate has a molecular weight of 144.21 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methylbutanoate is sourced from PubChem (CID 522214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).