(1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene

C13H16 — CID 11968007

IUPAC(1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene
SMILESC1=C\C2=C/C=C(\C=C/1)CCCCC2
InChIInChI=1S/C13H16/c1-2-6-12-8-4-5-9-13(7-3-1)11-10-12/h4-5,8-11H,1-3,6-7H2/b5-4-,8-4-,9-5-,11-10-,12-8-,12-10-,13-9-,13-11-
InChIKeyXRXWAKCPFJMTBC-VBKZNOIUSA-N
MW172.27 g/mol
LogP3.93
Rot. Bonds

About (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene

(1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene (PubChem CID 11968007) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene.

Molecular Properties

Compound Name(1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene
PubChem CID11968007
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene
SMILESC1=C\C2=C/C=C(\C=C/1)CCCCC2
InChIInChI=1S/C13H16/c1-2-6-12-8-4-5-9-13(7-3-1)11-10-12/h4-5,8-11H,1-3,6-7H2/b5-4-,8-4-,9-5-,11-10-,12-8-,12-10-,13-9-,13-11-
InChIKeyXRXWAKCPFJMTBC-VBKZNOIUSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene?
The IUPAC name of (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene (CID 11968007) is (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene.
What is the SMILES notation for (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene?
The canonical SMILES for (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene is C1=C\C2=C/C=C(\C=C/1)CCCCC2.
What is the InChIKey of (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene?
The InChIKey is XRXWAKCPFJMTBC-VBKZNOIUSA-N. The full InChI is InChI=1S/C13H16/c1-2-6-12-8-4-5-9-13(7-3-1)11-10-12/h4-5,8-11H,1-3,6-7H2/b5-4-,8-4-,9-5-,11-10-,12-8-,12-10-,13-9-,13-11-.
What are the key properties of (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene?
(1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene has a molecular weight of 172.27 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene is sourced from PubChem (CID 11968007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).