(3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene

C20H20 — CID 10587445

IUPAC(3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene
SMILESC1=C\Cc2cccc(c2)C/C=C\Cc2cccc(c2)C/1
InChIInChI=1S/C20H20/c1-2-8-18-12-6-14-20(16-18)10-4-3-9-19-13-5-11-17(7-1)15-19/h1-6,11-16H,7-10H2/b2-1-,4-3-
InChIKeyAHCDQLBWPWTVGX-LOKDLIDFSA-N
MW260.38 g/mol
LogP4.68
Rot. Bonds

About (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene

(3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene (PubChem CID 10587445) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene.

Molecular Properties

Compound Name(3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene
PubChem CID10587445
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name(3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene
SMILESC1=C\Cc2cccc(c2)C/C=C\Cc2cccc(c2)C/1
InChIInChI=1S/C20H20/c1-2-8-18-12-6-14-20(16-18)10-4-3-9-19-13-5-11-17(7-1)15-19/h1-6,11-16H,7-10H2/b2-1-,4-3-
InChIKeyAHCDQLBWPWTVGX-LOKDLIDFSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene?
The IUPAC name of (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene (CID 10587445) is (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene.
What is the SMILES notation for (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene?
The canonical SMILES for (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene is C1=C\Cc2cccc(c2)C/C=C\Cc2cccc(c2)C/1.
What is the InChIKey of (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene?
The InChIKey is AHCDQLBWPWTVGX-LOKDLIDFSA-N. The full InChI is InChI=1S/C20H20/c1-2-8-18-12-6-14-20(16-18)10-4-3-9-19-13-5-11-17(7-1)15-19/h1-6,11-16H,7-10H2/b2-1-,4-3-.
What are the key properties of (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene?
(3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene has a molecular weight of 260.38 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,12Z)-tricyclo[13.3.1.16,10]icosa-1(19),3,6(20),7,9,12,15,17-octaene is sourced from PubChem (CID 10587445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).