1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione

C16H12O2 — CID 118516621

IUPAC1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione
SMILESO=C1CCc2ccc3c4c(ccc3c21)CCC4=O
InChIInChI=1S/C16H12O2/c17-13-7-3-9-1-5-11-12(15(9)13)6-2-10-4-8-14(18)16(10)11/h1-2,5-6H,3-4,7-8H2
InChIKeyVQZIHAAPSADCRK-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.10
Rot. Bonds

About 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione

1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione (PubChem CID 118516621) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione.

Molecular Properties

Compound Name1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione
PubChem CID118516621
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione
SMILESO=C1CCc2ccc3c4c(ccc3c21)CCC4=O
InChIInChI=1S/C16H12O2/c17-13-7-3-9-1-5-11-12(15(9)13)6-2-10-4-8-14(18)16(10)11/h1-2,5-6H,3-4,7-8H2
InChIKeyVQZIHAAPSADCRK-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione?
The IUPAC name of 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione (CID 118516621) is 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione.
What is the SMILES notation for 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione?
The canonical SMILES for 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione is O=C1CCc2ccc3c4c(ccc3c21)CCC4=O.
What is the InChIKey of 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione?
The InChIKey is VQZIHAAPSADCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c17-13-7-3-9-1-5-11-12(15(9)13)6-2-10-4-8-14(18)16(10)11/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione?
1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione has a molecular weight of 236.27 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione is sourced from PubChem (CID 118516621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).