5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene

C14H22 — CID 57173688

IUPAC5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene
SMILESCCCCC(CC)=C1CC2C=CC1C2
InChIInChI=1S/C14H22/c1-3-5-6-12(4-2)14-10-11-7-8-13(14)9-11/h7-8,11,13H,3-6,9-10H2,1-2H3
InChIKeyYEKVMDVBAVEACP-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds4

About 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene

5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene (PubChem CID 57173688) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene
PubChem CID57173688
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene
SMILESCCCCC(CC)=C1CC2C=CC1C2
InChIInChI=1S/C14H22/c1-3-5-6-12(4-2)14-10-11-7-8-13(14)9-11/h7-8,11,13H,3-6,9-10H2,1-2H3
InChIKeyYEKVMDVBAVEACP-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene (CID 57173688) is 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene is CCCCC(CC)=C1CC2C=CC1C2.
What is the InChIKey of 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene?
The InChIKey is YEKVMDVBAVEACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-5-6-12(4-2)14-10-11-7-8-13(14)9-11/h7-8,11,13H,3-6,9-10H2,1-2H3.
What are the key properties of 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene?
5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 57173688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).