8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one

C11H16O3 — CID 121006114

IUPAC8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one
SMILESCOC12OCCCC1CC(C)=CC2=O
InChIInChI=1S/C11H16O3/c1-8-6-9-4-3-5-14-11(9,13-2)10(12)7-8/h7,9H,3-6H2,1-2H3
InChIKeyWGYRASULPJHUDR-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds1

About 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one

8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one (PubChem CID 121006114) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one.

Molecular Properties

Compound Name8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one
PubChem CID121006114
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one
SMILESCOC12OCCCC1CC(C)=CC2=O
InChIInChI=1S/C11H16O3/c1-8-6-9-4-3-5-14-11(9,13-2)10(12)7-8/h7,9H,3-6H2,1-2H3
InChIKeyWGYRASULPJHUDR-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one?
The IUPAC name of 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one (CID 121006114) is 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one.
What is the SMILES notation for 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one?
The canonical SMILES for 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one is COC12OCCCC1CC(C)=CC2=O.
What is the InChIKey of 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one?
The InChIKey is WGYRASULPJHUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-6-9-4-3-5-14-11(9,13-2)10(12)7-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one?
8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one has a molecular weight of 196.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one is sourced from PubChem (CID 121006114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).