2-methylbutan-2-yl propanoate

C8H16O2 — CID 523711

IUPAC2-methylbutan-2-yl propanoate
SMILESCCC(=O)OC(C)(C)CC
InChIInChI=1S/C8H16O2/c1-5-7(9)10-8(3,4)6-2/h5-6H2,1-4H3
InChIKeyRHSLWHLBYFOBAF-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.13
Rot. Bonds3

About 2-methylbutan-2-yl propanoate

2-methylbutan-2-yl propanoate (PubChem CID 523711) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-methylbutan-2-yl propanoate.

Molecular Properties

Compound Name2-methylbutan-2-yl propanoate
PubChem CID523711
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-methylbutan-2-yl propanoate
SMILESCCC(=O)OC(C)(C)CC
InChIInChI=1S/C8H16O2/c1-5-7(9)10-8(3,4)6-2/h5-6H2,1-4H3
InChIKeyRHSLWHLBYFOBAF-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl propanoate?
The IUPAC name of 2-methylbutan-2-yl propanoate (CID 523711) is 2-methylbutan-2-yl propanoate.
What is the SMILES notation for 2-methylbutan-2-yl propanoate?
The canonical SMILES for 2-methylbutan-2-yl propanoate is CCC(=O)OC(C)(C)CC.
What is the InChIKey of 2-methylbutan-2-yl propanoate?
The InChIKey is RHSLWHLBYFOBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-7(9)10-8(3,4)6-2/h5-6H2,1-4H3.
What are the key properties of 2-methylbutan-2-yl propanoate?
2-methylbutan-2-yl propanoate has a molecular weight of 144.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl propanoate is sourced from PubChem (CID 523711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).