[2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate

C16H26O4 — CID 170316068

IUPAC[2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate
SMILESCC(=O)C(=O)OCC(C)(C)OC(C)C1=CC(C)(C)CC1
InChIInChI=1S/C16H26O4/c1-11(17)14(18)19-10-16(5,6)20-12(2)13-7-8-15(3,4)9-13/h9,12H,7-8,10H2,1-6H3
InChIKeyFBJDIDUCFFZFOV-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.05
Rot. Bonds6

About [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate

[2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate (PubChem CID 170316068) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate.

Molecular Properties

Compound Name[2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate
PubChem CID170316068
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name[2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate
SMILESCC(=O)C(=O)OCC(C)(C)OC(C)C1=CC(C)(C)CC1
InChIInChI=1S/C16H26O4/c1-11(17)14(18)19-10-16(5,6)20-12(2)13-7-8-15(3,4)9-13/h9,12H,7-8,10H2,1-6H3
InChIKeyFBJDIDUCFFZFOV-UHFFFAOYSA-N
XLogP3.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate?
The IUPAC name of [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate (CID 170316068) is [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate.
What is the SMILES notation for [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate?
The canonical SMILES for [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate is CC(=O)C(=O)OCC(C)(C)OC(C)C1=CC(C)(C)CC1.
What is the InChIKey of [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate?
The InChIKey is FBJDIDUCFFZFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-11(17)14(18)19-10-16(5,6)20-12(2)13-7-8-15(3,4)9-13/h9,12H,7-8,10H2,1-6H3.
What are the key properties of [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate?
[2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate has a molecular weight of 282.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,3-dimethylcyclopenten-1-yl)ethoxy]-2-methylpropyl] 2-oxopropanoate is sourced from PubChem (CID 170316068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).