tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde

C20H20O2 — CID 58554908

IUPACtricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde
SMILESO=Cc1cc2ccc1CCCc1ccc(cc1C=O)CCC2
InChIInChI=1S/C20H20O2/c21-13-19-11-15-3-1-4-16-8-10-18(20(12-16)14-22)6-2-5-17(19)9-7-15/h7-14H,1-6H2
InChIKeyDBOQYHAAOPVABA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.98
Rot. Bonds2

About tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde

tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde (PubChem CID 58554908) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde.

Molecular Properties

Compound Nametricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde
PubChem CID58554908
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Nametricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde
SMILESO=Cc1cc2ccc1CCCc1ccc(cc1C=O)CCC2
InChIInChI=1S/C20H20O2/c21-13-19-11-15-3-1-4-16-8-10-18(20(12-16)14-22)6-2-5-17(19)9-7-15/h7-14H,1-6H2
InChIKeyDBOQYHAAOPVABA-UHFFFAOYSA-N
XLogP3.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde?
The IUPAC name of tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde (CID 58554908) is tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde.
What is the SMILES notation for tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde?
The canonical SMILES for tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde is O=Cc1cc2ccc1CCCc1ccc(cc1C=O)CCC2.
What is the InChIKey of tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde?
The InChIKey is DBOQYHAAOPVABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c21-13-19-11-15-3-1-4-16-8-10-18(20(12-16)14-22)6-2-5-17(19)9-7-15/h7-14H,1-6H2.
What are the key properties of tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde?
tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde has a molecular weight of 292.38 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde is sourced from PubChem (CID 58554908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).