tricyclo[4.4.1.02,4]undec-2(4)-ene

C11H16 — CID 123898174

IUPACtricyclo[4.4.1.02,4]undec-2(4)-ene
SMILESC1CCC2CC(C1)CC1=C2C1
InChIInChI=1S/C11H16/c1-2-4-9-5-8(3-1)6-10-7-11(9)10/h8-9H,1-7H2
InChIKeyLIVRYBMWYIOKAR-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.29
Rot. Bonds

About tricyclo[4.4.1.02,4]undec-2(4)-ene

tricyclo[4.4.1.02,4]undec-2(4)-ene (PubChem CID 123898174) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is tricyclo[4.4.1.02,4]undec-2(4)-ene.

Molecular Properties

Compound Nametricyclo[4.4.1.02,4]undec-2(4)-ene
PubChem CID123898174
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Nametricyclo[4.4.1.02,4]undec-2(4)-ene
SMILESC1CCC2CC(C1)CC1=C2C1
InChIInChI=1S/C11H16/c1-2-4-9-5-8(3-1)6-10-7-11(9)10/h8-9H,1-7H2
InChIKeyLIVRYBMWYIOKAR-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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 tricyclo[4.4.1.02,4]undec-2(4)-ene?
The IUPAC name of tricyclo[4.4.1.02,4]undec-2(4)-ene (CID 123898174) is tricyclo[4.4.1.02,4]undec-2(4)-ene.
What is the SMILES notation for tricyclo[4.4.1.02,4]undec-2(4)-ene?
The canonical SMILES for tricyclo[4.4.1.02,4]undec-2(4)-ene is C1CCC2CC(C1)CC1=C2C1.
What is the InChIKey of tricyclo[4.4.1.02,4]undec-2(4)-ene?
The InChIKey is LIVRYBMWYIOKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-4-9-5-8(3-1)6-10-7-11(9)10/h8-9H,1-7H2.
What are the key properties of tricyclo[4.4.1.02,4]undec-2(4)-ene?
tricyclo[4.4.1.02,4]undec-2(4)-ene has a molecular weight of 148.25 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.4.1.02,4]undec-2(4)-ene is sourced from PubChem (CID 123898174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).