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

C14H26O3 — CID 19809715

IUPAC1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate
SMILESCC(=O)OC(C)COC(C)C1CCC(C)(C)C1
InChIInChI=1S/C14H26O3/c1-10(17-12(3)15)9-16-11(2)13-6-7-14(4,5)8-13/h10-11,13H,6-9H2,1-5H3
InChIKeyLFAPJHVSBSHTIV-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.17
Rot. Bonds5

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

1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate (PubChem CID 19809715) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate.

Molecular Properties

Compound Name1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate
PubChem CID19809715
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate
SMILESCC(=O)OC(C)COC(C)C1CCC(C)(C)C1
InChIInChI=1S/C14H26O3/c1-10(17-12(3)15)9-16-11(2)13-6-7-14(4,5)8-13/h10-11,13H,6-9H2,1-5H3
InChIKeyLFAPJHVSBSHTIV-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 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate?
The IUPAC name of 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate (CID 19809715) is 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate.
What is the SMILES notation for 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate?
The canonical SMILES for 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate is CC(=O)OC(C)COC(C)C1CCC(C)(C)C1.
What is the InChIKey of 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate?
The InChIKey is LFAPJHVSBSHTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-10(17-12(3)15)9-16-11(2)13-6-7-14(4,5)8-13/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate?
1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl 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 1-[1-(3,3-dimethylcyclopentyl)ethoxy]propan-2-yl acetate is sourced from PubChem (CID 19809715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).