2-methyltricyclo[3.2.1.02,4]oct-6-ene

C9H12 — CID 14761245

IUPAC2-methyltricyclo[3.2.1.02,4]oct-6-ene
SMILESCC12CC1C1C=CC2C1
InChIInChI=1S/C9H12/c1-9-5-8(9)6-2-3-7(9)4-6/h2-3,6-8H,4-5H2,1H3
InChIKeyBJIFSMHXEBFMRY-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.22
Rot. Bonds

About 2-methyltricyclo[3.2.1.02,4]oct-6-ene

2-methyltricyclo[3.2.1.02,4]oct-6-ene (PubChem CID 14761245) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 2-methyltricyclo[3.2.1.02,4]oct-6-ene.

Molecular Properties

Compound Name2-methyltricyclo[3.2.1.02,4]oct-6-ene
PubChem CID14761245
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name2-methyltricyclo[3.2.1.02,4]oct-6-ene
SMILESCC12CC1C1C=CC2C1
InChIInChI=1S/C9H12/c1-9-5-8(9)6-2-3-7(9)4-6/h2-3,6-8H,4-5H2,1H3
InChIKeyBJIFSMHXEBFMRY-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.22
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-methyltricyclo[3.2.1.02,4]oct-6-ene?
The IUPAC name of 2-methyltricyclo[3.2.1.02,4]oct-6-ene (CID 14761245) is 2-methyltricyclo[3.2.1.02,4]oct-6-ene.
What is the SMILES notation for 2-methyltricyclo[3.2.1.02,4]oct-6-ene?
The canonical SMILES for 2-methyltricyclo[3.2.1.02,4]oct-6-ene is CC12CC1C1C=CC2C1.
What is the InChIKey of 2-methyltricyclo[3.2.1.02,4]oct-6-ene?
The InChIKey is BJIFSMHXEBFMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-9-5-8(9)6-2-3-7(9)4-6/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 2-methyltricyclo[3.2.1.02,4]oct-6-ene?
2-methyltricyclo[3.2.1.02,4]oct-6-ene has a molecular weight of 120.19 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltricyclo[3.2.1.02,4]oct-6-ene is sourced from PubChem (CID 14761245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).