1-methyltricyclo[8.2.1.02,9]tridec-11-ene

C14H22 — CID 91123416

IUPAC1-methyltricyclo[8.2.1.02,9]tridec-11-ene
SMILESCC12C=CC(C1)C1CCCCCCC12
InChIInChI=1S/C14H22/c1-14-9-8-11(10-14)12-6-4-2-3-5-7-13(12)14/h8-9,11-13H,2-7,10H2,1H3
InChIKeyVDUFKBZOJCNWDT-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds

About 1-methyltricyclo[8.2.1.02,9]tridec-11-ene

1-methyltricyclo[8.2.1.02,9]tridec-11-ene (PubChem CID 91123416) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-methyltricyclo[8.2.1.02,9]tridec-11-ene.

Molecular Properties

Compound Name1-methyltricyclo[8.2.1.02,9]tridec-11-ene
PubChem CID91123416
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-methyltricyclo[8.2.1.02,9]tridec-11-ene
SMILESCC12C=CC(C1)C1CCCCCCC12
InChIInChI=1S/C14H22/c1-14-9-8-11(10-14)12-6-4-2-3-5-7-13(12)14/h8-9,11-13H,2-7,10H2,1H3
InChIKeyVDUFKBZOJCNWDT-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.17
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 1-methyltricyclo[8.2.1.02,9]tridec-11-ene?
The IUPAC name of 1-methyltricyclo[8.2.1.02,9]tridec-11-ene (CID 91123416) is 1-methyltricyclo[8.2.1.02,9]tridec-11-ene.
What is the SMILES notation for 1-methyltricyclo[8.2.1.02,9]tridec-11-ene?
The canonical SMILES for 1-methyltricyclo[8.2.1.02,9]tridec-11-ene is CC12C=CC(C1)C1CCCCCCC12.
What is the InChIKey of 1-methyltricyclo[8.2.1.02,9]tridec-11-ene?
The InChIKey is VDUFKBZOJCNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-14-9-8-11(10-14)12-6-4-2-3-5-7-13(12)14/h8-9,11-13H,2-7,10H2,1H3.
What are the key properties of 1-methyltricyclo[8.2.1.02,9]tridec-11-ene?
1-methyltricyclo[8.2.1.02,9]tridec-11-ene has a molecular weight of 190.33 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltricyclo[8.2.1.02,9]tridec-11-ene is sourced from PubChem (CID 91123416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).