2-cyclopentylbutan-2-yl 2-methylpropanoate

C13H24O2 — CID 59782925

IUPAC2-cyclopentylbutan-2-yl 2-methylpropanoate
SMILESCCC(C)(OC(=O)C(C)C)C1CCCC1
InChIInChI=1S/C13H24O2/c1-5-13(4,11-8-6-7-9-11)15-12(14)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyXCRLRMNLCHGVAD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.54
Rot. Bonds4

About 2-cyclopentylbutan-2-yl 2-methylpropanoate

2-cyclopentylbutan-2-yl 2-methylpropanoate (PubChem CID 59782925) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-cyclopentylbutan-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name2-cyclopentylbutan-2-yl 2-methylpropanoate
PubChem CID59782925
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-cyclopentylbutan-2-yl 2-methylpropanoate
SMILESCCC(C)(OC(=O)C(C)C)C1CCCC1
InChIInChI=1S/C13H24O2/c1-5-13(4,11-8-6-7-9-11)15-12(14)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyXCRLRMNLCHGVAD-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylbutan-2-yl 2-methylpropanoate?
The IUPAC name of 2-cyclopentylbutan-2-yl 2-methylpropanoate (CID 59782925) is 2-cyclopentylbutan-2-yl 2-methylpropanoate.
What is the SMILES notation for 2-cyclopentylbutan-2-yl 2-methylpropanoate?
The canonical SMILES for 2-cyclopentylbutan-2-yl 2-methylpropanoate is CCC(C)(OC(=O)C(C)C)C1CCCC1.
What is the InChIKey of 2-cyclopentylbutan-2-yl 2-methylpropanoate?
The InChIKey is XCRLRMNLCHGVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-13(4,11-8-6-7-9-11)15-12(14)10(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-cyclopentylbutan-2-yl 2-methylpropanoate?
2-cyclopentylbutan-2-yl 2-methylpropanoate has a molecular weight of 212.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylbutan-2-yl 2-methylpropanoate is sourced from PubChem (CID 59782925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).