3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one

C11H22O2 — CID 43800604

IUPAC3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one
SMILESCCC(C)(C)OCC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-7-11(5,6)13-8-9(12)10(2,3)4/h7-8H2,1-6H3
InChIKeyFKUIEXHSTMJXPM-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds4

About 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one

3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one (PubChem CID 43800604) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one
PubChem CID43800604
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one
SMILESCCC(C)(C)OCC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-7-11(5,6)13-8-9(12)10(2,3)4/h7-8H2,1-6H3
InChIKeyFKUIEXHSTMJXPM-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one (CID 43800604) is 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one is CCC(C)(C)OCC(=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one?
The InChIKey is FKUIEXHSTMJXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-7-11(5,6)13-8-9(12)10(2,3)4/h7-8H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one?
3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one has a molecular weight of 186.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one is sourced from PubChem (CID 43800604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).