5-heptylbicyclo[2.2.1]hept-2-ene

C14H24 — CID 22253270

IUPAC5-heptylbicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C14H24/c1-2-3-4-5-6-7-13-10-12-8-9-14(13)11-12/h8-9,12-14H,2-7,10-11H2,1H3
InChIKeyCJNWULHWRKDCLF-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds6

About 5-heptylbicyclo[2.2.1]hept-2-ene

5-heptylbicyclo[2.2.1]hept-2-ene (PubChem CID 22253270) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 5-heptylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-heptylbicyclo[2.2.1]hept-2-ene
PubChem CID22253270
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name5-heptylbicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C14H24/c1-2-3-4-5-6-7-13-10-12-8-9-14(13)11-12/h8-9,12-14H,2-7,10-11H2,1H3
InChIKeyCJNWULHWRKDCLF-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
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 5-heptylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-heptylbicyclo[2.2.1]hept-2-ene (CID 22253270) is 5-heptylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-heptylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-heptylbicyclo[2.2.1]hept-2-ene is CCCCCCCC1CC2C=CC1C2.
What is the InChIKey of 5-heptylbicyclo[2.2.1]hept-2-ene?
The InChIKey is CJNWULHWRKDCLF-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/h8-9,12-14H,2-7,10-11H2,1H3.
What are the key properties of 5-heptylbicyclo[2.2.1]hept-2-ene?
5-heptylbicyclo[2.2.1]hept-2-ene has a molecular weight of 192.35 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22253270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).