2-heptylbicyclo[2.2.1]hept-1-ene

C14H24 — CID 22335870

IUPAC2-heptylbicyclo[2.2.1]hept-1-ene
SMILESCCCCCCCC1=C2CCC(C1)C2
InChIInChI=1S/C14H24/c1-2-3-4-5-6-7-13-10-12-8-9-14(13)11-12/h12H,2-11H2,1H3
InChIKeyGJFSWIFBQSDKTJ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.85
Rot. Bonds6

About 2-heptylbicyclo[2.2.1]hept-1-ene

2-heptylbicyclo[2.2.1]hept-1-ene (PubChem CID 22335870) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-heptylbicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-heptylbicyclo[2.2.1]hept-1-ene
PubChem CID22335870
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2-heptylbicyclo[2.2.1]hept-1-ene
SMILESCCCCCCCC1=C2CCC(C1)C2
InChIInChI=1S/C14H24/c1-2-3-4-5-6-7-13-10-12-8-9-14(13)11-12/h12H,2-11H2,1H3
InChIKeyGJFSWIFBQSDKTJ-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-heptylbicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-heptylbicyclo[2.2.1]hept-1-ene (CID 22335870) is 2-heptylbicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-heptylbicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-heptylbicyclo[2.2.1]hept-1-ene is CCCCCCCC1=C2CCC(C1)C2.
What is the InChIKey of 2-heptylbicyclo[2.2.1]hept-1-ene?
The InChIKey is GJFSWIFBQSDKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-2-3-4-5-6-7-13-10-12-8-9-14(13)11-12/h12H,2-11H2,1H3.
What are the key properties of 2-heptylbicyclo[2.2.1]hept-1-ene?
2-heptylbicyclo[2.2.1]hept-1-ene has a molecular weight of 192.35 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptylbicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 22335870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).