8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane

C25H34 — CID 143846018

IUPAC8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane
SMILESC=Cc1c2c(c3ccccc3c1C=C)C1CC1C=C2.CC.CC.CC
InChIInChI=1S/C19H16.3C2H6/c1-3-13-14(4-2)17-10-9-12-11-18(12)19(17)16-8-6-5-7-15(13)16;3*1-2/h3-10,12,18H,1-2,11H2;3*1-2H3
InChIKeyIAOYKMZFRUMYCR-UHFFFAOYSA-N
MW334.55 g/mol
LogP8.33
Rot. Bonds2

About 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane

8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane (PubChem CID 143846018) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane.

Molecular Properties

Compound Name8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane
PubChem CID143846018
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane
SMILESC=Cc1c2c(c3ccccc3c1C=C)C1CC1C=C2.CC.CC.CC
InChIInChI=1S/C19H16.3C2H6/c1-3-13-14(4-2)17-10-9-12-11-18(12)19(17)16-8-6-5-7-15(13)16;3*1-2/h3-10,12,18H,1-2,11H2;3*1-2H3
InChIKeyIAOYKMZFRUMYCR-UHFFFAOYSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane with MolForge

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Related Compounds

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CID 171099983
8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
CID 142466952
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CID 142416237
9-ethenyl-10-methylphenanthrene
CID 123648763
7-ethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
CID 142181883
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CID 143923022
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
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1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene
CID 143743667
5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium
CID 162269712
1-methyl-2-prop-2-enylbenzene;2-methyl-3-prop-2-enylbicyclo[4.1.0]hepta-2,4-diene
CID 143183933
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562

Frequently Asked Questions

What is the IUPAC name of 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane?
The IUPAC name of 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane (CID 143846018) is 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane.
What is the SMILES notation for 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane?
The canonical SMILES for 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane is C=Cc1c2c(c3ccccc3c1C=C)C1CC1C=C2.CC.CC.CC.
What is the InChIKey of 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane?
The InChIKey is IAOYKMZFRUMYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.3C2H6/c1-3-13-14(4-2)17-10-9-12-11-18(12)19(17)16-8-6-5-7-15(13)16;3*1-2/h3-10,12,18H,1-2,11H2;3*1-2H3.
What are the key properties of 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane?
8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane has a molecular weight of 334.55 g/mol, XLogP of 8.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane is sourced from PubChem (CID 143846018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).