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

C14H26O3 — CID 19809717

IUPAC2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate
SMILESCC(=O)OCC(C)OC(C)C1CCC(C)(C)C1
InChIInChI=1S/C14H26O3/c1-10(9-16-12(3)15)17-11(2)13-6-7-14(4,5)8-13/h10-11,13H,6-9H2,1-5H3
InChIKeyFPRDLOCXASKKAO-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.17
Rot. Bonds5

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

2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate (PubChem CID 19809717) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate.

Molecular Properties

Compound Name2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate
PubChem CID19809717
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate
SMILESCC(=O)OCC(C)OC(C)C1CCC(C)(C)C1
InChIInChI=1S/C14H26O3/c1-10(9-16-12(3)15)17-11(2)13-6-7-14(4,5)8-13/h10-11,13H,6-9H2,1-5H3
InChIKeyFPRDLOCXASKKAO-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.17
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 acetate?
The IUPAC name of 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate (CID 19809717) is 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate.
What is the SMILES notation for 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate?
The canonical SMILES for 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate is CC(=O)OCC(C)OC(C)C1CCC(C)(C)C1.
What is the InChIKey of 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate?
The InChIKey is FPRDLOCXASKKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-10(9-16-12(3)15)17-11(2)13-6-7-14(4,5)8-13/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate?
2-[1-(3,3-dimethylcyclopentyl)ethoxy]propyl acetate has a molecular weight of 242.36 g/mol, XLogP of 3.17, 5 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 acetate is sourced from PubChem (CID 19809717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).