7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid

C10H16O5 — CID 19860300

IUPAC7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid
SMILESCOC(=O)C(C)CC(=O)CC(C)C(=O)O
InChIInChI=1S/C10H16O5/c1-6(9(12)13)4-8(11)5-7(2)10(14)15-3/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyBHSIWXRWJSRCOT-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.87
Rot. Bonds6

About 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid

7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid (PubChem CID 19860300) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid.

Molecular Properties

Compound Name7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid
PubChem CID19860300
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid
SMILESCOC(=O)C(C)CC(=O)CC(C)C(=O)O
InChIInChI=1S/C10H16O5/c1-6(9(12)13)4-8(11)5-7(2)10(14)15-3/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyBHSIWXRWJSRCOT-UHFFFAOYSA-N
XLogP0.87
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-4-oxoheptanedioic acid
CID 19810818
(2S)-5-amino-2-methyl-4-oxopentanoic acid
CID 122518877
(2S,6R)-2-amino-6-methyl-4-oxoheptanedioic acid
CID 160809649
5-methoxy-4-methyl-2,5-dioxopentanoic acid
CID 174869002
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
7,7,7-trifluoro-2-methyl-4,6-dioxoheptanoic acid
CID 19789961
methyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 66561990
5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate
CID 175356213
4-methoxy-3-methyl-4-oxobutanoic acid;phenol
CID 68856622
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid?
The IUPAC name of 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid (CID 19860300) is 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid.
What is the SMILES notation for 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid?
The canonical SMILES for 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid is COC(=O)C(C)CC(=O)CC(C)C(=O)O.
What is the InChIKey of 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid?
The InChIKey is BHSIWXRWJSRCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-6(9(12)13)4-8(11)5-7(2)10(14)15-3/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid?
7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid has a molecular weight of 216.23 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid is sourced from PubChem (CID 19860300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).