3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione

C14H14O4 — CID 22466507

IUPAC3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione
SMILESCc1cc2c(c(=O)o1)C=C1CCCC(=O)C1(C)O2
InChIInChI=1S/C14H14O4/c1-8-6-11-10(13(16)17-8)7-9-4-3-5-12(15)14(9,2)18-11/h6-7H,3-5H2,1-2H3
InChIKeyXQPRPMXRBFVOFM-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.24
Rot. Bonds

About 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione

3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione (PubChem CID 22466507) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione.

Molecular Properties

Compound Name3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione
PubChem CID22466507
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione
SMILESCc1cc2c(c(=O)o1)C=C1CCCC(=O)C1(C)O2
InChIInChI=1S/C14H14O4/c1-8-6-11-10(13(16)17-8)7-9-4-3-5-12(15)14(9,2)18-11/h6-7H,3-5H2,1-2H3
InChIKeyXQPRPMXRBFVOFM-UHFFFAOYSA-N
XLogP2.24
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione?
The IUPAC name of 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione (CID 22466507) is 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione.
What is the SMILES notation for 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione?
The canonical SMILES for 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione is Cc1cc2c(c(=O)o1)C=C1CCCC(=O)C1(C)O2.
What is the InChIKey of 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione?
The InChIKey is XQPRPMXRBFVOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-8-6-11-10(13(16)17-8)7-9-4-3-5-12(15)14(9,2)18-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione?
3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione has a molecular weight of 246.26 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5a-dimethyl-8,9-dihydro-7H-pyrano[4,3-b]chromene-1,6-dione is sourced from PubChem (CID 22466507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).