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

C15H28O3 — CID 19809722

IUPAC2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate
SMILESCCC(=O)OCC(C)OC(C)C1CCC(C)(C)C1
InChIInChI=1S/C15H28O3/c1-6-14(16)17-10-11(2)18-12(3)13-7-8-15(4,5)9-13/h11-13H,6-10H2,1-5H3
InChIKeyLBYPTNOYINMRGC-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.56
Rot. Bonds6

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

2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate (PubChem CID 19809722) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate.

Molecular Properties

Compound Name2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate
PubChem CID19809722
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate
SMILESCCC(=O)OCC(C)OC(C)C1CCC(C)(C)C1
InChIInChI=1S/C15H28O3/c1-6-14(16)17-10-11(2)18-12(3)13-7-8-15(4,5)9-13/h11-13H,6-10H2,1-5H3
InChIKeyLBYPTNOYINMRGC-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.56
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]propyl propanoate?
The IUPAC name of 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate (CID 19809722) is 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate.
What is the SMILES notation for 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate?
The canonical SMILES for 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate is CCC(=O)OCC(C)OC(C)C1CCC(C)(C)C1.
What is the InChIKey of 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate?
The InChIKey is LBYPTNOYINMRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-6-14(16)17-10-11(2)18-12(3)13-7-8-15(4,5)9-13/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate?
2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl propanoate has a molecular weight of 256.39 g/mol, XLogP of 3.56, 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]propyl propanoate is sourced from PubChem (CID 19809722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).