tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione

C22H24O2 — CID 141218778

IUPACtricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione
SMILESO=C1CCCCC(=O)c2cccc(c2)-c2cccc(c2)CCCC1
InChIInChI=1S/C22H24O2/c23-21-12-2-1-7-17-8-5-9-18(15-17)19-10-6-11-20(16-19)22(24)14-4-3-13-21/h5-6,8-11,15-16H,1-4,7,12-14H2
InChIKeyUBCPHXPPOINTER-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.39
Rot. Bonds

About tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione

tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione (PubChem CID 141218778) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione.

Molecular Properties

Compound Nametricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione
PubChem CID141218778
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Nametricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione
SMILESO=C1CCCCC(=O)c2cccc(c2)-c2cccc(c2)CCCC1
InChIInChI=1S/C22H24O2/c23-21-12-2-1-7-17-8-5-9-18(15-17)19-10-6-11-20(16-19)22(24)14-4-3-13-21/h5-6,8-11,15-16H,1-4,7,12-14H2
InChIKeyUBCPHXPPOINTER-UHFFFAOYSA-N
XLogP5.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione?
The IUPAC name of tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione (CID 141218778) is tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione.
What is the SMILES notation for tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione?
The canonical SMILES for tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione is O=C1CCCCC(=O)c2cccc(c2)-c2cccc(c2)CCCC1.
What is the InChIKey of tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione?
The InChIKey is UBCPHXPPOINTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c23-21-12-2-1-7-17-8-5-9-18(15-17)19-10-6-11-20(16-19)22(24)14-4-3-13-21/h5-6,8-11,15-16H,1-4,7,12-14H2.
What are the key properties of tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione?
tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione has a molecular weight of 320.43 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-7,12-dione is sourced from PubChem (CID 141218778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).