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

C15H28O3 — CID 19809723

IUPAC1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate
SMILESCCC(=O)OC(C)COC(C)C1CCC(C)(C)C1
InChIInChI=1S/C15H28O3/c1-6-14(16)18-11(2)10-17-12(3)13-7-8-15(4,5)9-13/h11-13H,6-10H2,1-5H3
InChIKeyBNCYPPKNYIAGBM-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.56
Rot. Bonds6

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

1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate (PubChem CID 19809723) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate.

Molecular Properties

Compound Name1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate
PubChem CID19809723
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate
SMILESCCC(=O)OC(C)COC(C)C1CCC(C)(C)C1
InChIInChI=1S/C15H28O3/c1-6-14(16)18-11(2)10-17-12(3)13-7-8-15(4,5)9-13/h11-13H,6-10H2,1-5H3
InChIKeyBNCYPPKNYIAGBM-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

Analyze 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate?
The IUPAC name of 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate (CID 19809723) is 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate.
What is the SMILES notation for 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate?
The canonical SMILES for 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate is CCC(=O)OC(C)COC(C)C1CCC(C)(C)C1.
What is the InChIKey of 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate?
The InChIKey is BNCYPPKNYIAGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-6-14(16)18-11(2)10-17-12(3)13-7-8-15(4,5)9-13/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate?
1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl 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 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl propanoate is sourced from PubChem (CID 19809723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).