7H-benzo[7]annulene-6,8-dicarbaldehyde

C13H10O2 — CID 14195628

IUPAC7H-benzo[7]annulene-6,8-dicarbaldehyde
SMILESO=CC1=Cc2ccccc2C=C(C=O)C1
InChIInChI=1S/C13H10O2/c14-8-10-5-11(9-15)7-13-4-2-1-3-12(13)6-10/h1-4,6-9H,5H2
InChIKeyQWNHPTLLLNYEEU-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.25
Rot. Bonds2

About 7H-benzo[7]annulene-6,8-dicarbaldehyde

7H-benzo[7]annulene-6,8-dicarbaldehyde (PubChem CID 14195628) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 7H-benzo[7]annulene-6,8-dicarbaldehyde.

Molecular Properties

Compound Name7H-benzo[7]annulene-6,8-dicarbaldehyde
PubChem CID14195628
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name7H-benzo[7]annulene-6,8-dicarbaldehyde
SMILESO=CC1=Cc2ccccc2C=C(C=O)C1
InChIInChI=1S/C13H10O2/c14-8-10-5-11(9-15)7-13-4-2-1-3-12(13)6-10/h1-4,6-9H,5H2
InChIKeyQWNHPTLLLNYEEU-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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(7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 7H-benzo[7]annulene-6,8-dicarbaldehyde?
The IUPAC name of 7H-benzo[7]annulene-6,8-dicarbaldehyde (CID 14195628) is 7H-benzo[7]annulene-6,8-dicarbaldehyde.
What is the SMILES notation for 7H-benzo[7]annulene-6,8-dicarbaldehyde?
The canonical SMILES for 7H-benzo[7]annulene-6,8-dicarbaldehyde is O=CC1=Cc2ccccc2C=C(C=O)C1.
What is the InChIKey of 7H-benzo[7]annulene-6,8-dicarbaldehyde?
The InChIKey is QWNHPTLLLNYEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-8-10-5-11(9-15)7-13-4-2-1-3-12(13)6-10/h1-4,6-9H,5H2.
What are the key properties of 7H-benzo[7]annulene-6,8-dicarbaldehyde?
7H-benzo[7]annulene-6,8-dicarbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[7]annulene-6,8-dicarbaldehyde is sourced from PubChem (CID 14195628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).