2-methyltricyclo[3.3.1.13,7]dec-1-ene

C11H16 — CID 57050529

IUPAC2-methyltricyclo[3.3.1.13,7]dec-1-ene
SMILESCC1=C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h8-10H,2-6H2,1H3
InChIKeyXDANPUSLLJWVEK-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.14
Rot. Bonds

About 2-methyltricyclo[3.3.1.13,7]dec-1-ene

2-methyltricyclo[3.3.1.13,7]dec-1-ene (PubChem CID 57050529) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-methyltricyclo[3.3.1.13,7]dec-1-ene.

Molecular Properties

Compound Name2-methyltricyclo[3.3.1.13,7]dec-1-ene
PubChem CID57050529
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-methyltricyclo[3.3.1.13,7]dec-1-ene
SMILESCC1=C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h8-10H,2-6H2,1H3
InChIKeyXDANPUSLLJWVEK-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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[3.3.1.13,7]dec-1-ene?
The IUPAC name of 2-methyltricyclo[3.3.1.13,7]dec-1-ene (CID 57050529) is 2-methyltricyclo[3.3.1.13,7]dec-1-ene.
What is the SMILES notation for 2-methyltricyclo[3.3.1.13,7]dec-1-ene?
The canonical SMILES for 2-methyltricyclo[3.3.1.13,7]dec-1-ene is CC1=C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-methyltricyclo[3.3.1.13,7]dec-1-ene?
The InChIKey is XDANPUSLLJWVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h8-10H,2-6H2,1H3.
What are the key properties of 2-methyltricyclo[3.3.1.13,7]dec-1-ene?
2-methyltricyclo[3.3.1.13,7]dec-1-ene has a molecular weight of 148.25 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltricyclo[3.3.1.13,7]dec-1-ene is sourced from PubChem (CID 57050529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).