1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one

C12H18O3 — CID 74818074

IUPAC1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESCOCOC1CCC2=CC(=O)CCC21C
InChIInChI=1S/C12H18O3/c1-12-6-5-10(13)7-9(12)3-4-11(12)15-8-14-2/h7,11H,3-6,8H2,1-2H3
InChIKeyRJTHXABUCVFNNT-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds3

About 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one

1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one (PubChem CID 74818074) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one.

Molecular Properties

Compound Name1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
PubChem CID74818074
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESCOCOC1CCC2=CC(=O)CCC21C
InChIInChI=1S/C12H18O3/c1-12-6-5-10(13)7-9(12)3-4-11(12)15-8-14-2/h7,11H,3-6,8H2,1-2H3
InChIKeyRJTHXABUCVFNNT-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one 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

(7'aS)-7'a-methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 11052846
rel-(1R,7aR)-1-(1,1-Dimethylethoxy)-1,2,3,6,7,7a-hexahydro-7a-methyl-5H-inden-5-one
CID 11127889
(1R,7aR)-1-Hydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one
CID 13033865
1-Hydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-inden-5-one
CID 13033868
(1S,7aS)-1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 42605198
5H-Inden-5-one,1-dimethylethoxy)-1,2,3,6,7,7a-hexahydro-7a-methyl-, trans-
CID 317810
(7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 10750873
7'a-Methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 13033857
1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 13033864
(7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl) acetate
CID 13033871
[(1S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] formate
CID 9990208
(6S,6aR)-6-(ethoxymethoxy)-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 11229356

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The IUPAC name of 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one (CID 74818074) is 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one.
What is the SMILES notation for 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The canonical SMILES for 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one is COCOC1CCC2=CC(=O)CCC21C.
What is the InChIKey of 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The InChIKey is RJTHXABUCVFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12-6-5-10(13)7-9(12)3-4-11(12)15-8-14-2/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one has a molecular weight of 210.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one is sourced from PubChem (CID 74818074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).