(3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid

C25H32O2 — CID 139917531

IUPAC(3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid
SMILESO=C(O)C1=C/C2=C\CCCCCC3CCC(=C/C=C\C=C/C=C\1CC2)CC3
InChIInChI=1S/C25H32O2/c26-25(27)24-19-22-11-7-2-1-5-9-20-13-15-21(16-14-20)10-6-3-4-8-12-23(24)18-17-22/h3-4,6,8,10-12,19-20H,1-2,5,7,9,13-18H2,(H,26,27)/b6-3-,8-4-,21-10-,22-11-,23-12-
InChIKeyFYFUXOWABOVXJL-MDXIVZDQSA-N
MW364.53 g/mol
LogP6.84
Rot. Bonds1

About (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid

(3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid (PubChem CID 139917531) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid.

Molecular Properties

Compound Name(3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid
PubChem CID139917531
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name(3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid
SMILESO=C(O)C1=C/C2=C\CCCCCC3CCC(=C/C=C\C=C/C=C\1CC2)CC3
InChIInChI=1S/C25H32O2/c26-25(27)24-19-22-11-7-2-1-5-9-20-13-15-21(16-14-20)10-6-3-4-8-12-23(24)18-17-22/h3-4,6,8,10-12,19-20H,1-2,5,7,9,13-18H2,(H,26,27)/b6-3-,8-4-,21-10-,22-11-,23-12-
InChIKeyFYFUXOWABOVXJL-MDXIVZDQSA-N
XLogP6.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid?
The IUPAC name of (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid (CID 139917531) is (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid.
What is the SMILES notation for (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid?
The canonical SMILES for (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid is O=C(O)C1=C/C2=C\CCCCCC3CCC(=C/C=C\C=C/C=C\1CC2)CC3.
What is the InChIKey of (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid?
The InChIKey is FYFUXOWABOVXJL-MDXIVZDQSA-N. The full InChI is InChI=1S/C25H32O2/c26-25(27)24-19-22-11-7-2-1-5-9-20-13-15-21(16-14-20)10-6-3-4-8-12-23(24)18-17-22/h3-4,6,8,10-12,19-20H,1-2,5,7,9,13-18H2,(H,26,27)/b6-3-,8-4-,21-10-,22-11-,23-12-.
What are the key properties of (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid?
(3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid has a molecular weight of 364.53 g/mol, XLogP of 6.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z,11Z)-tricyclo[16.2.2.28,11]tetracosa-1,3,5,7,9,11-hexaene-9-carboxylic acid is sourced from PubChem (CID 139917531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).