5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene

C25H34O2 — CID 20749007

IUPAC5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2COC(CC1CC2C=CC1C2)OCC1CC2C=CC1C2
InChIInChI=1S/C25H34O2/c1-4-19-7-16(1)10-22(19)13-25(26-14-23-11-17-2-5-20(23)8-17)27-15-24-12-18-3-6-21(24)9-18/h1-6,16-25H,7-15H2
InChIKeyDDJDXQLZAJTNPM-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.37
Rot. Bonds8

About 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene

5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 20749007) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
PubChem CID20749007
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2COC(CC1CC2C=CC1C2)OCC1CC2C=CC1C2
InChIInChI=1S/C25H34O2/c1-4-19-7-16(1)10-22(19)13-25(26-14-23-11-17-2-5-20(23)8-17)27-15-24-12-18-3-6-21(24)9-18/h1-6,16-25H,7-15H2
InChIKeyDDJDXQLZAJTNPM-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene (CID 20749007) is 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2COC(CC1CC2C=CC1C2)OCC1CC2C=CC1C2.
What is the InChIKey of 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is DDJDXQLZAJTNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-4-19-7-16(1)10-22(19)13-25(26-14-23-11-17-2-5-20(23)8-17)27-15-24-12-18-3-6-21(24)9-18/h1-6,16-25H,7-15H2.
What are the key properties of 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 366.55 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20749007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).