2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene

C14H20 — CID 54545280

IUPAC2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene
SMILESC=CC12CC(C)CCC1C1C=CC2C1
InChIInChI=1S/C14H20/c1-3-14-9-10(2)4-7-13(14)11-5-6-12(14)8-11/h3,5-6,10-13H,1,4,7-9H2,2H3
InChIKeyZGCDDAMSCVAJAN-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.80
Rot. Bonds1

About 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene

2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene (PubChem CID 54545280) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene.

Molecular Properties

Compound Name2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene
PubChem CID54545280
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene
SMILESC=CC12CC(C)CCC1C1C=CC2C1
InChIInChI=1S/C14H20/c1-3-14-9-10(2)4-7-13(14)11-5-6-12(14)8-11/h3,5-6,10-13H,1,4,7-9H2,2H3
InChIKeyZGCDDAMSCVAJAN-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.80
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 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene?
The IUPAC name of 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene (CID 54545280) is 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene.
What is the SMILES notation for 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene?
The canonical SMILES for 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene is C=CC12CC(C)CCC1C1C=CC2C1.
What is the InChIKey of 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene?
The InChIKey is ZGCDDAMSCVAJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-14-9-10(2)4-7-13(14)11-5-6-12(14)8-11/h3,5-6,10-13H,1,4,7-9H2,2H3.
What are the key properties of 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene?
2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene has a molecular weight of 188.31 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methyltricyclo[6.2.1.02,7]undec-9-ene is sourced from PubChem (CID 54545280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).