bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)

C22H28 — CID 173404323

IUPACbicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)
SMILESC1=CC2CCC1C2.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1
InChIInChI=1S/C7H10.3C5H6/c1-2-7-4-3-6(1)5-7;3*1-2-4-5-3-1/h1-2,6-7H,3-5H2;3*1-4H,5H2
InChIKeyJAELHHPHFXPYGD-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.48
Rot. Bonds

About bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)

bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene) (PubChem CID 173404323) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene).

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)
PubChem CID173404323
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Namebicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)
SMILESC1=CC2CCC1C2.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1
InChIInChI=1S/C7H10.3C5H6/c1-2-7-4-3-6(1)5-7;3*1-2-4-5-3-1/h1-2,6-7H,3-5H2;3*1-4H,5H2
InChIKeyJAELHHPHFXPYGD-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
bicyclo[2.2.1]hept-2-ene;trichlororhodium
CID 175974959
cyclopenta-1,3-diene
CID 159248657
bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane
CID 174548915
cyclopenta-1,3-diene;3-methylcyclopropene
CID 21266720
aminophosphonous acid;bicyclo[2.2.1]hept-2-ene
CID 67327267
bicyclo[2.2.1]hept-2-ene;carbanide;2-methylpropane;tungsten(2+)
CID 158415038
(1Z,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaene
CID 102477763
potassium cyclopenta-1,3-diene
CID 22494929
sodium cyclopenta-1,3-diene
CID 19606718
bis(cyclopenta-1,3-diene);hydrobromide
CID 173376640
cyclopenta-1,3-diene;scandium
CID 158619793

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene) (CID 173404323) is bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene).
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene) is C1=CC2CCC1C2.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)?
The InChIKey is JAELHHPHFXPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.3C5H6/c1-2-7-4-3-6(1)5-7;3*1-2-4-5-3-1/h1-2,6-7H,3-5H2;3*1-4H,5H2.
What are the key properties of bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)?
bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene) has a molecular weight of 292.47 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene) is sourced from PubChem (CID 173404323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).