2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene

C12H14O2 — CID 67608971

IUPAC2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene
SMILESC1=CCC2OC3CCCOC3=CC2=C1
InChIInChI=1S/C12H14O2/c1-2-5-10-9(4-1)8-12-11(14-10)6-3-7-13-12/h1-2,4,8,10-11H,3,5-7H2
InChIKeyDCVFLOHCGKSCHU-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.33
Rot. Bonds

About 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene

2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene (PubChem CID 67608971) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene.

Molecular Properties

Compound Name2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene
PubChem CID67608971
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene
SMILESC1=CCC2OC3CCCOC3=CC2=C1
InChIInChI=1S/C12H14O2/c1-2-5-10-9(4-1)8-12-11(14-10)6-3-7-13-12/h1-2,4,8,10-11H,3,5-7H2
InChIKeyDCVFLOHCGKSCHU-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene?
The IUPAC name of 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene (CID 67608971) is 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene.
What is the SMILES notation for 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene?
The canonical SMILES for 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene is C1=CCC2OC3CCCOC3=CC2=C1.
What is the InChIKey of 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene?
The InChIKey is DCVFLOHCGKSCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-5-10-9(4-1)8-12-11(14-10)6-3-7-13-12/h1-2,4,8,10-11H,3,5-7H2.
What are the key properties of 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene?
2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene has a molecular weight of 190.24 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene is sourced from PubChem (CID 67608971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).