8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one

C14H18O3 — CID 102364138

IUPAC8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one
SMILESCC1(C)CC(=O)C2=C(C1)OC1COCCC1=C2
InChIInChI=1S/C14H18O3/c1-14(2)6-11(15)10-5-9-3-4-16-8-13(9)17-12(10)7-14/h5,13H,3-4,6-8H2,1-2H3
InChIKeyLEARQMBSBKXEDM-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.38
Rot. Bonds

About 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one

8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one (PubChem CID 102364138) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one.

Molecular Properties

Compound Name8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one
PubChem CID102364138
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one
SMILESCC1(C)CC(=O)C2=C(C1)OC1COCCC1=C2
InChIInChI=1S/C14H18O3/c1-14(2)6-11(15)10-5-9-3-4-16-8-13(9)17-12(10)7-14/h5,13H,3-4,6-8H2,1-2H3
InChIKeyLEARQMBSBKXEDM-UHFFFAOYSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one?
The IUPAC name of 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one (CID 102364138) is 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one.
What is the SMILES notation for 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one?
The canonical SMILES for 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one is CC1(C)CC(=O)C2=C(C1)OC1COCCC1=C2.
What is the InChIKey of 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one?
The InChIKey is LEARQMBSBKXEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2)6-11(15)10-5-9-3-4-16-8-13(9)17-12(10)7-14/h5,13H,3-4,6-8H2,1-2H3.
What are the key properties of 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one?
8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one has a molecular weight of 234.29 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one is sourced from PubChem (CID 102364138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).