5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene

C13H18 — CID 141101625

IUPAC5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene
SMILESCCC=C1C(=CCC)C2C=CC1C2
InChIInChI=1S/C13H18/c1-3-5-12-10-7-8-11(9-10)13(12)6-4-2/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyCYXOJFAMCIMCTQ-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.87
Rot. Bonds2

About 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene

5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene (PubChem CID 141101625) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene
PubChem CID141101625
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene
SMILESCCC=C1C(=CCC)C2C=CC1C2
InChIInChI=1S/C13H18/c1-3-5-12-10-7-8-11(9-10)13(12)6-4-2/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyCYXOJFAMCIMCTQ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.87
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 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene (CID 141101625) is 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene is CCC=C1C(=CCC)C2C=CC1C2.
What is the InChIKey of 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene?
The InChIKey is CYXOJFAMCIMCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-5-12-10-7-8-11(9-10)13(12)6-4-2/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene?
5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene has a molecular weight of 174.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 141101625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).