2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene

C25H34 — CID 123366269

IUPAC2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C1=CC2CCC1C2)/C(C1=CC2CCC1C2)=C1/CC2CCC1C2
InChIInChI=1S/C25H34/c1-25(2,23-14-17-5-8-20(23)11-17)24(21-12-15-3-6-18(21)9-15)22-13-16-4-7-19(22)10-16/h12,14-20H,3-11,13H2,1-2H3/b24-22-
InChIKeyPSMLWSHXRUACGH-GYHWCHFESA-N
MW334.55 g/mol
LogP6.84
Rot. Bonds3

About 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene

2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene (PubChem CID 123366269) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene
PubChem CID123366269
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C1=CC2CCC1C2)/C(C1=CC2CCC1C2)=C1/CC2CCC1C2
InChIInChI=1S/C25H34/c1-25(2,23-14-17-5-8-20(23)11-17)24(21-12-15-3-6-18(21)9-15)22-13-16-4-7-19(22)10-16/h12,14-20H,3-11,13H2,1-2H3/b24-22-
InChIKeyPSMLWSHXRUACGH-GYHWCHFESA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene with MolForge

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Related Compounds

(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 96842588
2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 12648921
N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 55250595
2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile
CID 11062657
[[(1Z)-1-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]ethyl]amino]thiourea
CID 2132294
[2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoethyl]-dimethylsulfanium
CID 58905980
[(1R,5S)-3-bicyclo[3.2.1]oct-2-enyl]-trimethylsilane
CID 11446692
CID 174987416
CID 174987416
(1S,4S)-bicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 91217973
bicyclo[2.2.1]hept-2-en-2-amine
CID 54271477
methyl bicyclo[3.2.1]oct-2-ene-3-carboxylate
CID 13329635
3-bicyclo[3.2.1]oct-2-enylmethyl-methyl-methylidene-λ4-sulfane
CID 123505173

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene (CID 123366269) is 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene is CC(C)(C1=CC2CCC1C2)/C(C1=CC2CCC1C2)=C1/CC2CCC1C2.
What is the InChIKey of 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is PSMLWSHXRUACGH-GYHWCHFESA-N. The full InChI is InChI=1S/C25H34/c1-25(2,23-14-17-5-8-20(23)11-17)24(21-12-15-3-6-18(21)9-15)22-13-16-4-7-19(22)10-16/h12,14-20H,3-11,13H2,1-2H3/b24-22-.
What are the key properties of 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene?
2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 334.55 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 123366269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).