3-ethenyltricyclo[6.2.1.02,7]undec-9-ene

C13H18 — CID 154525054

IUPAC3-ethenyltricyclo[6.2.1.02,7]undec-9-ene
SMILESC=CC1CCCC2C3C=CC(C3)C12
InChIInChI=1S/C13H18/c1-2-9-4-3-5-12-10-6-7-11(8-10)13(9)12/h2,6-7,9-13H,1,3-5,8H2
InChIKeyJZSQRLQCLVGOBC-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.41
Rot. Bonds1

About 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene

3-ethenyltricyclo[6.2.1.02,7]undec-9-ene (PubChem CID 154525054) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene.

Molecular Properties

Compound Name3-ethenyltricyclo[6.2.1.02,7]undec-9-ene
PubChem CID154525054
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name3-ethenyltricyclo[6.2.1.02,7]undec-9-ene
SMILESC=CC1CCCC2C3C=CC(C3)C12
InChIInChI=1S/C13H18/c1-2-9-4-3-5-12-10-6-7-11(8-10)13(9)12/h2,6-7,9-13H,1,3-5,8H2
InChIKeyJZSQRLQCLVGOBC-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.41
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 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene?
The IUPAC name of 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene (CID 154525054) is 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene.
What is the SMILES notation for 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene?
The canonical SMILES for 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene is C=CC1CCCC2C3C=CC(C3)C12.
What is the InChIKey of 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene?
The InChIKey is JZSQRLQCLVGOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-9-4-3-5-12-10-6-7-11(8-10)13(9)12/h2,6-7,9-13H,1,3-5,8H2.
What are the key properties of 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene?
3-ethenyltricyclo[6.2.1.02,7]undec-9-ene has a molecular weight of 174.29 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyltricyclo[6.2.1.02,7]undec-9-ene is sourced from PubChem (CID 154525054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).