7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione

C12H12O2 — CID 13190621

IUPAC7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
SMILESO=C1CCCCc2ccccc2C1=O
InChIInChI=1S/C12H12O2/c13-11-8-4-2-6-9-5-1-3-7-10(9)12(11)14/h1,3,5,7H,2,4,6,8H2
InChIKeyFIVUBWOFJPHFRY-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.16
Rot. Bonds

About 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione

7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione (PubChem CID 13190621) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione.

Molecular Properties

Compound Name7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
PubChem CID13190621
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
SMILESO=C1CCCCc2ccccc2C1=O
InChIInChI=1S/C12H12O2/c13-11-8-4-2-6-9-5-1-3-7-10(9)12(11)14/h1,3,5,7H,2,4,6,8H2
InChIKeyFIVUBWOFJPHFRY-UHFFFAOYSA-N
XLogP2.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione?
The IUPAC name of 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione (CID 13190621) is 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione.
What is the SMILES notation for 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione?
The canonical SMILES for 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione is O=C1CCCCc2ccccc2C1=O.
What is the InChIKey of 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione?
The InChIKey is FIVUBWOFJPHFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-8-4-2-6-9-5-1-3-7-10(9)12(11)14/h1,3,5,7H,2,4,6,8H2.
What are the key properties of 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione?
7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione has a molecular weight of 188.23 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione is sourced from PubChem (CID 13190621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).