5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C20H20 — CID 10777766

IUPAC5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESC=Cc1cc2ccc1CCc1ccc(cc1C=C)CC2
InChIInChI=1S/C20H20/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h3-4,7-10,13-14H,1-2,5-6,11-12H2
InChIKeyFURJPBBXDVSGQT-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.86
Rot. Bonds2

About 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 10777766) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID10777766
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESC=Cc1cc2ccc1CCc1ccc(cc1C=C)CC2
InChIInChI=1S/C20H20/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h3-4,7-10,13-14H,1-2,5-6,11-12H2
InChIKeyFURJPBBXDVSGQT-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 139076148
5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 15328348
tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde
CID 58554908
2-ethenylbicyclo[3.1.1]hepta-1,3,5-triene;hydrochloride
CID 67781099
(2E,4E,6E)-7-[12-[(1E,3E,5E)-7-hydroxyhepta-1,3,5-trienyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]hepta-2,4,6-trien-1-ol
CID 11475779
1-methyl-4-[(E)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethenyl]pyridin-1-ium
CID 155908650
12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol
CID 24807421
[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane
CID 11585762
ethyl (E)-2-methyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-enoate
CID 101034362
ethyl (2E,4E)-5-[11-[(1E,3E)-5-ethoxy-3-methoxy-5-oxopenta-1,3-dienyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-3-methoxypenta-2,4-dienoate
CID 11489217
5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 15073818
2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 177322497

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 10777766) is 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is C=Cc1cc2ccc1CCc1ccc(cc1C=C)CC2.
What is the InChIKey of 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is FURJPBBXDVSGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h3-4,7-10,13-14H,1-2,5-6,11-12H2.
What are the key properties of 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 260.38 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 10777766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).