2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one

C13H24O2 — CID 102988603

IUPAC2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one
SMILESCCCC(C)OC1CC(=O)C1(CC)CC
InChIInChI=1S/C13H24O2/c1-5-8-10(4)15-12-9-11(14)13(12,6-2)7-3/h10,12H,5-9H2,1-4H3
InChIKeyKRDLXURCVCPXIK-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.34
Rot. Bonds6

About 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one

2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one (PubChem CID 102988603) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one
PubChem CID102988603
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one
SMILESCCCC(C)OC1CC(=O)C1(CC)CC
InChIInChI=1S/C13H24O2/c1-5-8-10(4)15-12-9-11(14)13(12,6-2)7-3/h10,12H,5-9H2,1-4H3
InChIKeyKRDLXURCVCPXIK-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one (CID 102988603) is 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one is CCCC(C)OC1CC(=O)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one?
The InChIKey is KRDLXURCVCPXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-8-10(4)15-12-9-11(14)13(12,6-2)7-3/h10,12H,5-9H2,1-4H3.
What are the key properties of 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one?
2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one is sourced from PubChem (CID 102988603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).