4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione

C12H14O3 — CID 69264335

IUPAC4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione
SMILESO=C1COC2C(CCC3C(=O)C=CC32)C1
InChIInChI=1S/C12H14O3/c13-8-5-7-1-2-9-10(3-4-11(9)14)12(7)15-6-8/h3-4,7,9-10,12H,1-2,5-6H2
InChIKeyDLEPMULMQXXQCE-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.13
Rot. Bonds

About 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione

4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione (PubChem CID 69264335) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione.

Molecular Properties

Compound Name4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione
PubChem CID69264335
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione
SMILESO=C1COC2C(CCC3C(=O)C=CC32)C1
InChIInChI=1S/C12H14O3/c13-8-5-7-1-2-9-10(3-4-11(9)14)12(7)15-6-8/h3-4,7,9-10,12H,1-2,5-6H2
InChIKeyDLEPMULMQXXQCE-UHFFFAOYSA-N
XLogP1.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione?
The IUPAC name of 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione (CID 69264335) is 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione.
What is the SMILES notation for 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione?
The canonical SMILES for 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione is O=C1COC2C(CCC3C(=O)C=CC32)C1.
What is the InChIKey of 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione?
The InChIKey is DLEPMULMQXXQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-8-5-7-1-2-9-10(3-4-11(9)14)12(7)15-6-8/h3-4,7,9-10,12H,1-2,5-6H2.
What are the key properties of 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione?
4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione has a molecular weight of 206.24 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,6a,9a,9b-hexahydro-4H-cyclopenta[h]chromene-3,7-dione is sourced from PubChem (CID 69264335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).