2,7-dimethoxy-7-methyloctan-4-one

C11H22O3 — CID 103035419

IUPAC2,7-dimethoxy-7-methyloctan-4-one
SMILESCOC(C)CC(=O)CCC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-9(13-4)8-10(12)6-7-11(2,3)14-5/h9H,6-8H2,1-5H3
InChIKeyJSUKWHHURPYWIT-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.19
Rot. Bonds7

About 2,7-dimethoxy-7-methyloctan-4-one

2,7-dimethoxy-7-methyloctan-4-one (PubChem CID 103035419) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,7-dimethoxy-7-methyloctan-4-one.

Molecular Properties

Compound Name2,7-dimethoxy-7-methyloctan-4-one
PubChem CID103035419
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2,7-dimethoxy-7-methyloctan-4-one
SMILESCOC(C)CC(=O)CCC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-9(13-4)8-10(12)6-7-11(2,3)14-5/h9H,6-8H2,1-5H3
InChIKeyJSUKWHHURPYWIT-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-5-methyl-1-(2-methylpropylsulfanyl)hexan-2-one
CID 103035331
3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one
CID 103455135
1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
CID 103035375
1-ethoxy-6-methoxy-6-methylheptan-3-one
CID 103024480
(4R)-4-methoxypentan-2-one
CID 10749159
(3S)-3-methoxybutanoic acid
CID 51374275
2,7,7-trimethyloctan-4-one
CID 62619842
3-methoxy-3-methylbutan-1-ol;3-methylbutanamide
CID 170646143
3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one
CID 103446930
8-methoxy-8-methylnonan-3-one
CID 103037503
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
CID 115909811

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-7-methyloctan-4-one?
The IUPAC name of 2,7-dimethoxy-7-methyloctan-4-one (CID 103035419) is 2,7-dimethoxy-7-methyloctan-4-one.
What is the SMILES notation for 2,7-dimethoxy-7-methyloctan-4-one?
The canonical SMILES for 2,7-dimethoxy-7-methyloctan-4-one is COC(C)CC(=O)CCC(C)(C)OC.
What is the InChIKey of 2,7-dimethoxy-7-methyloctan-4-one?
The InChIKey is JSUKWHHURPYWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(13-4)8-10(12)6-7-11(2,3)14-5/h9H,6-8H2,1-5H3.
What are the key properties of 2,7-dimethoxy-7-methyloctan-4-one?
2,7-dimethoxy-7-methyloctan-4-one has a molecular weight of 202.29 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-7-methyloctan-4-one is sourced from PubChem (CID 103035419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).