4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one

C13H24O2 — CID 20765513

IUPAC4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
SMILESCC(C)(C)OCC(=O)CCC1CCCC1
InChIInChI=1S/C13H24O2/c1-13(2,3)15-10-12(14)9-8-11-6-4-5-7-11/h11H,4-10H2,1-3H3
InChIKeyMLXYVEVAXRIXNF-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.34
Rot. Bonds5

About 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one

4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one (PubChem CID 20765513) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one.

Molecular Properties

Compound Name4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
PubChem CID20765513
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
SMILESCC(C)(C)OCC(=O)CCC1CCCC1
InChIInChI=1S/C13H24O2/c1-13(2,3)15-10-12(14)9-8-11-6-4-5-7-11/h11H,4-10H2,1-3H3
InChIKeyMLXYVEVAXRIXNF-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
The IUPAC name of 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one (CID 20765513) is 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one.
What is the SMILES notation for 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
The canonical SMILES for 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one is CC(C)(C)OCC(=O)CCC1CCCC1.
What is the InChIKey of 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
The InChIKey is MLXYVEVAXRIXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-13(2,3)15-10-12(14)9-8-11-6-4-5-7-11/h11H,4-10H2,1-3H3.
What are the key properties of 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one is sourced from PubChem (CID 20765513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).