Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C₁₄H₂₀O₂ — CID 154413761

About Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate

Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 154413761) has the molecular formula C₁₄H₂₀O₂ and a molecular weight of 220.31 g/mol. Its IUPAC name is methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

• Compound Name: Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
• PubChem CID: 154413761
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31 g/mol
• Exact Mass: 220.15
• IUPAC Name: methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
• SMILES: C=C(C)C12CC(CC1C(=O)OC)C(C)=C2C
• InChI: InChI=1S/C14H20O2/c1-8(2)14-7-11(9(3)10(14)4)6-12(14)13(15)16-5/h11-12H,1,6-7H2,2-5H3
• InChIKey: LSOZMLDSSAYWLY-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.31
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate?

The IUPAC name of Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 154413761) is methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

What is the SMILES notation for Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate?

The canonical SMILES for Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate is C=C(C)C12CC(CC1C(=O)OC)C(C)=C2C.

What is the InChIKey of Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate?

The InChIKey is LSOZMLDSSAYWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-8(2)14-7-11(9(3)10(14)4)6-12(14)13(15)16-5/h11-12H,1,6-7H2,2-5H3.

What are the key properties of Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate?

Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 220.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 154413761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154413761 — identifiers, structure, computed properties (public domain)

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