tricyclo[6.2.1.02,7]undec-4-ene

C11H16 — CID 548751

IUPACtricyclo[6.2.1.02,7]undec-4-ene
SMILESC1=CCC2C3CCC(C3)C2C1
InChIInChI=1S/C11H16/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-2,8-11H,3-7H2
InChIKeyYPOHZFOZYNRWKX-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds

About tricyclo[6.2.1.02,7]undec-4-ene

tricyclo[6.2.1.02,7]undec-4-ene (PubChem CID 548751) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is tricyclo[6.2.1.02,7]undec-4-ene.

Molecular Properties

Compound Nametricyclo[6.2.1.02,7]undec-4-ene
PubChem CID548751
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Nametricyclo[6.2.1.02,7]undec-4-ene
SMILESC1=CCC2C3CCC(C3)C2C1
InChIInChI=1S/C11H16/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-2,8-11H,3-7H2
InChIKeyYPOHZFOZYNRWKX-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

beta-Santalene
CID 10889018
Dihydrodicyclopentadiene
CID 95605
Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-
CID 10534
Tetracyclododecene
CID 136844
2-Ethenylbicyclo[2.2.1]heptane
CID 548985
Neoclovene
CID 605073
Santalene (minor)
CID 6431197
(-)-alpha-Neoclovene
CID 15973057
5-(3-Cyclohexen-1-yl)bicyclo(2.2.1)hept-2-ene
CID 20835
Tricyclo[3,2,1,0(2,4)]oct-6-ene
CID 137993
Albene
CID 11084199
(-)-epi-beta-Santalene
CID 11106484

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.1.02,7]undec-4-ene?
The IUPAC name of tricyclo[6.2.1.02,7]undec-4-ene (CID 548751) is tricyclo[6.2.1.02,7]undec-4-ene.
What is the SMILES notation for tricyclo[6.2.1.02,7]undec-4-ene?
The canonical SMILES for tricyclo[6.2.1.02,7]undec-4-ene is C1=CCC2C3CCC(C3)C2C1.
What is the InChIKey of tricyclo[6.2.1.02,7]undec-4-ene?
The InChIKey is YPOHZFOZYNRWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-2,8-11H,3-7H2.
What are the key properties of tricyclo[6.2.1.02,7]undec-4-ene?
tricyclo[6.2.1.02,7]undec-4-ene has a molecular weight of 148.25 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.1.02,7]undec-4-ene is sourced from PubChem (CID 548751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).