ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene

C24H34 — CID 131722887

IUPACethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.C=C.C=CC.CC=C1CC2C=CC1C2
InChIInChI=1S/C10H12.C9H12.C3H6.C2H4/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-8-5-7-3-4-9(8)6-7;1-3-2;1-2/h1-2,4-5,7-10H,3,6H2;2-4,7,9H,5-6H2,1H3;3H,1H2,2H3;1-2H2
InChIKeyLMNXXVCURIOTLP-UHFFFAOYSA-N
MW322.54 g/mol
LogP6.91
Rot. Bonds

About ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene

ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 131722887) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Nameethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID131722887
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Nameethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.C=C.C=CC.CC=C1CC2C=CC1C2
InChIInChI=1S/C10H12.C9H12.C3H6.C2H4/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-8-5-7-3-4-9(8)6-7;1-3-2;1-2/h1-2,4-5,7-10H,3,6H2;2-4,7,9H,5-6H2,1H3;3H,1H2,2H3;1-2H2
InChIKeyLMNXXVCURIOTLP-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene (CID 131722887) is ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene is C1=CC2C3C=CC(C3)C2C1.C=C.C=CC.CC=C1CC2C=CC1C2.
What is the InChIKey of ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is LMNXXVCURIOTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H12.C3H6.C2H4/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-8-5-7-3-4-9(8)6-7;1-3-2;1-2/h1-2,4-5,7-10H,3,6H2;2-4,7,9H,5-6H2,1H3;3H,1H2,2H3;1-2H2.
What are the key properties of ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene?
ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 322.54 g/mol, XLogP of 6.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-ethylidenebicyclo[2.2.1]hept-2-ene;prop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 131722887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).