2-methoxy-2,6,6-trimethylheptan-3-one

C11H22O2 — CID 79196927

IUPAC2-methoxy-2,6,6-trimethylheptan-3-one
SMILESCOC(C)(C)C(=O)CCC(C)(C)C
InChIInChI=1S/C11H22O2/c1-10(2,3)8-7-9(12)11(4,5)13-6/h7-8H2,1-6H3
InChIKeyAPOXMRJCVZGYHE-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds4

About 2-methoxy-2,6,6-trimethylheptan-3-one

2-methoxy-2,6,6-trimethylheptan-3-one (PubChem CID 79196927) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-methoxy-2,6,6-trimethylheptan-3-one.

Molecular Properties

Compound Name2-methoxy-2,6,6-trimethylheptan-3-one
PubChem CID79196927
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-methoxy-2,6,6-trimethylheptan-3-one
SMILESCOC(C)(C)C(=O)CCC(C)(C)C
InChIInChI=1S/C11H22O2/c1-10(2,3)8-7-9(12)11(4,5)13-6/h7-8H2,1-6H3
InChIKeyAPOXMRJCVZGYHE-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 2-methoxy-2,6,6-trimethylheptan-3-one?
The IUPAC name of 2-methoxy-2,6,6-trimethylheptan-3-one (CID 79196927) is 2-methoxy-2,6,6-trimethylheptan-3-one.
What is the SMILES notation for 2-methoxy-2,6,6-trimethylheptan-3-one?
The canonical SMILES for 2-methoxy-2,6,6-trimethylheptan-3-one is COC(C)(C)C(=O)CCC(C)(C)C.
What is the InChIKey of 2-methoxy-2,6,6-trimethylheptan-3-one?
The InChIKey is APOXMRJCVZGYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2,3)8-7-9(12)11(4,5)13-6/h7-8H2,1-6H3.
What are the key properties of 2-methoxy-2,6,6-trimethylheptan-3-one?
2-methoxy-2,6,6-trimethylheptan-3-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 2-methoxy-2,6,6-trimethylheptan-3-one is sourced from PubChem (CID 79196927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).