5,7-dimethoxy-4,4-dimethylheptan-3-one

C11H22O3 — CID 22966980

IUPAC5,7-dimethoxy-4,4-dimethylheptan-3-one
SMILESCCC(=O)C(C)(C)C(CCOC)OC
InChIInChI=1S/C11H22O3/c1-6-9(12)11(2,3)10(14-5)7-8-13-4/h10H,6-8H2,1-5H3
InChIKeySAJSFUATXOFUMZ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.04
Rot. Bonds7

About 5,7-dimethoxy-4,4-dimethylheptan-3-one

5,7-dimethoxy-4,4-dimethylheptan-3-one (PubChem CID 22966980) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 5,7-dimethoxy-4,4-dimethylheptan-3-one.

Molecular Properties

Compound Name5,7-dimethoxy-4,4-dimethylheptan-3-one
PubChem CID22966980
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name5,7-dimethoxy-4,4-dimethylheptan-3-one
SMILESCCC(=O)C(C)(C)C(CCOC)OC
InChIInChI=1S/C11H22O3/c1-6-9(12)11(2,3)10(14-5)7-8-13-4/h10H,6-8H2,1-5H3
InChIKeySAJSFUATXOFUMZ-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4,4-dimethylheptan-3-one?
The IUPAC name of 5,7-dimethoxy-4,4-dimethylheptan-3-one (CID 22966980) is 5,7-dimethoxy-4,4-dimethylheptan-3-one.
What is the SMILES notation for 5,7-dimethoxy-4,4-dimethylheptan-3-one?
The canonical SMILES for 5,7-dimethoxy-4,4-dimethylheptan-3-one is CCC(=O)C(C)(C)C(CCOC)OC.
What is the InChIKey of 5,7-dimethoxy-4,4-dimethylheptan-3-one?
The InChIKey is SAJSFUATXOFUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-9(12)11(2,3)10(14-5)7-8-13-4/h10H,6-8H2,1-5H3.
What are the key properties of 5,7-dimethoxy-4,4-dimethylheptan-3-one?
5,7-dimethoxy-4,4-dimethylheptan-3-one has a molecular weight of 202.29 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4,4-dimethylheptan-3-one is sourced from PubChem (CID 22966980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).