2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one

C12H22O2 — CID 66367028

IUPAC2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC(C)(C)C
InChIInChI=1S/C12H22O2/c1-6-12(7-2)9(13)8-10(12)14-11(3,4)5/h10H,6-8H2,1-5H3
InChIKeyQLIOSCUCQQDDQL-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds3

About 2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one

2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one (PubChem CID 66367028) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one
PubChem CID66367028
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC(C)(C)C
InChIInChI=1S/C12H22O2/c1-6-12(7-2)9(13)8-10(12)14-11(3,4)5/h10H,6-8H2,1-5H3
InChIKeyQLIOSCUCQQDDQL-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.95
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-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one (CID 66367028) is 2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one is CCC1(CC)C(=O)CC1OC(C)(C)C.
What is the InChIKey of 2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one?
The InChIKey is QLIOSCUCQQDDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-12(7-2)9(13)8-10(12)14-11(3,4)5/h10H,6-8H2,1-5H3.
What are the key properties of 2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one?
2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one is sourced from PubChem (CID 66367028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).