1-cyclopentylethyl 2,2-dimethylbutanoate

C13H24O2 — CID 58085073

IUPAC1-cyclopentylethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)C1CCCC1
InChIInChI=1S/C13H24O2/c1-5-13(3,4)12(14)15-10(2)11-8-6-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyNTZOECMLTWJEOG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.54
Rot. Bonds4

About 1-cyclopentylethyl 2,2-dimethylbutanoate

1-cyclopentylethyl 2,2-dimethylbutanoate (PubChem CID 58085073) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-cyclopentylethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name1-cyclopentylethyl 2,2-dimethylbutanoate
PubChem CID58085073
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-cyclopentylethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)C1CCCC1
InChIInChI=1S/C13H24O2/c1-5-13(3,4)12(14)15-10(2)11-8-6-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyNTZOECMLTWJEOG-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 1-cyclopentylethyl 2,2-dimethylbutanoate?
The IUPAC name of 1-cyclopentylethyl 2,2-dimethylbutanoate (CID 58085073) is 1-cyclopentylethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 1-cyclopentylethyl 2,2-dimethylbutanoate?
The canonical SMILES for 1-cyclopentylethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)C1CCCC1.
What is the InChIKey of 1-cyclopentylethyl 2,2-dimethylbutanoate?
The InChIKey is NTZOECMLTWJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-13(3,4)12(14)15-10(2)11-8-6-7-9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-cyclopentylethyl 2,2-dimethylbutanoate?
1-cyclopentylethyl 2,2-dimethylbutanoate 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 1-cyclopentylethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 58085073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).