3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene

C18H16 — CID 71332157

IUPAC3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC(=Cc1ccc2c(c1)CC2)c1ccc2c(c1)CC2
InChIInChI=1S/C18H16/c1(13-3-5-15-7-9-17(15)11-13)2-14-4-6-16-8-10-18(16)12-14/h1-6,11-12H,7-10H2
InChIKeyBDBUBPBBXPHOIC-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.05
Rot. Bonds2

About 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene

3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 71332157) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID71332157
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC(=Cc1ccc2c(c1)CC2)c1ccc2c(c1)CC2
InChIInChI=1S/C18H16/c1(13-3-5-15-7-9-17(15)11-13)2-14-4-6-16-8-10-18(16)12-14/h1-6,11-12H,7-10H2
InChIKeyBDBUBPBBXPHOIC-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[(1Z,3Z)-4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)buta-1,3-dienyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58696689
2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54058053
3-(3-bromoprop-1-enyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 169475031
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-2-enoic acid
CID 71362115
1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54443966
[(E)-2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]-[[(E)-2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]-dimethylsilyl]oxy-dimethylsilane
CID 11731897
5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)penta-2,4-dienoic acid
CID 86034884
4-[(E)-2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 58251040
tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
CID 101344698
S-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-2-enyl] ethanethioate
CID 169456703
5-ethenyl-2,3-dihydro-1H-indene
CID 59801498
2-[[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-2-enoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 126706619

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene (CID 71332157) is 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene is C(=Cc1ccc2c(c1)CC2)c1ccc2c(c1)CC2.
What is the InChIKey of 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is BDBUBPBBXPHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1(13-3-5-15-7-9-17(15)11-13)2-14-4-6-16-8-10-18(16)12-14/h1-6,11-12H,7-10H2.
What are the key properties of 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene?
3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 232.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 71332157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).