[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate

C16H28O4 — CID 58887272

IUPAC[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate
SMILESCCCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/C16H28O4/c1-5-9-16(10-7-8-11-16)20-13(17)12-19-14(18)15(3,4)6-2/h5-12H2,1-4H3
InChIKeyBTWZPGBXJVTAHP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.62
Rot. Bonds7

About [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate

[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate (PubChem CID 58887272) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate
PubChem CID58887272
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate
SMILESCCCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/C16H28O4/c1-5-9-16(10-7-8-11-16)20-13(17)12-19-14(18)15(3,4)6-2/h5-12H2,1-4H3
InChIKeyBTWZPGBXJVTAHP-UHFFFAOYSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate (CID 58887272) is [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate is CCCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.
What is the InChIKey of [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate?
The InChIKey is BTWZPGBXJVTAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-5-9-16(10-7-8-11-16)20-13(17)12-19-14(18)15(3,4)6-2/h5-12H2,1-4H3.
What are the key properties of [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate?
[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate has a molecular weight of 284.40 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 58887272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).