5-dodecylbicyclo[2.2.1]hept-2-ene

C19H34 — CID 548717

IUPAC5-dodecylbicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C19H34/c1-2-3-4-5-6-7-8-9-10-11-12-18-15-17-13-14-19(18)16-17/h13-14,17-19H,2-12,15-16H2,1H3
InChIKeyVVKPRHOUENDOED-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.51
Rot. Bonds11

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

5-dodecylbicyclo[2.2.1]hept-2-ene (PubChem CID 548717) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 5-dodecylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-dodecylbicyclo[2.2.1]hept-2-ene
PubChem CID548717
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name5-dodecylbicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C19H34/c1-2-3-4-5-6-7-8-9-10-11-12-18-15-17-13-14-19(18)16-17/h13-14,17-19H,2-12,15-16H2,1H3
InChIKeyVVKPRHOUENDOED-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.51
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-dodecylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-dodecylbicyclo[2.2.1]hept-2-ene (CID 548717) is 5-dodecylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-dodecylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-dodecylbicyclo[2.2.1]hept-2-ene is CCCCCCCCCCCCC1CC2C=CC1C2.
What is the InChIKey of 5-dodecylbicyclo[2.2.1]hept-2-ene?
The InChIKey is VVKPRHOUENDOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-2-3-4-5-6-7-8-9-10-11-12-18-15-17-13-14-19(18)16-17/h13-14,17-19H,2-12,15-16H2,1H3.
What are the key properties of 5-dodecylbicyclo[2.2.1]hept-2-ene?
5-dodecylbicyclo[2.2.1]hept-2-ene has a molecular weight of 262.48 g/mol, XLogP of 6.51, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 548717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).