[2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate

C16H30O3 — CID 59734904

IUPAC[2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate
SMILESCCC(=O)OCC(C)(C)OC(C)C1CCC(C)(C)C1
InChIInChI=1S/C16H30O3/c1-7-14(17)18-11-16(5,6)19-12(2)13-8-9-15(3,4)10-13/h12-13H,7-11H2,1-6H3
InChIKeyZAISIIQAKFYSMS-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.95
Rot. Bonds6

About [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate

[2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate (PubChem CID 59734904) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate.

Molecular Properties

Compound Name[2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate
PubChem CID59734904
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name[2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate
SMILESCCC(=O)OCC(C)(C)OC(C)C1CCC(C)(C)C1
InChIInChI=1S/C16H30O3/c1-7-14(17)18-11-16(5,6)19-12(2)13-8-9-15(3,4)10-13/h12-13H,7-11H2,1-6H3
InChIKeyZAISIIQAKFYSMS-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate?
The IUPAC name of [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate (CID 59734904) is [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate.
What is the SMILES notation for [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate?
The canonical SMILES for [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate is CCC(=O)OCC(C)(C)OC(C)C1CCC(C)(C)C1.
What is the InChIKey of [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate?
The InChIKey is ZAISIIQAKFYSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-7-14(17)18-11-16(5,6)19-12(2)13-8-9-15(3,4)10-13/h12-13H,7-11H2,1-6H3.
What are the key properties of [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate?
[2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate has a molecular weight of 270.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,3-dimethylcyclopentyl)ethoxy]-2-methylpropyl] propanoate is sourced from PubChem (CID 59734904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).