2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane

C12H20 — CID 46173196

IUPAC2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CC(C(C)(C)C2)C1(C)C
InChIInChI=1S/C12H20/c1-8-9-6-10(12(8,4)5)11(2,3)7-9/h9-10H,1,6-7H2,2-5H3
InChIKeyCJJCDFKNRQRNMW-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.63
Rot. Bonds

About 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane

2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 46173196) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID46173196
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CC(C(C)(C)C2)C1(C)C
InChIInChI=1S/C12H20/c1-8-9-6-10(12(8,4)5)11(2,3)7-9/h9-10H,1,6-7H2,2-5H3
InChIKeyCJJCDFKNRQRNMW-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.63
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 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane (CID 46173196) is 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane is C=C1C2CC(C(C)(C)C2)C1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is CJJCDFKNRQRNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-8-9-6-10(12(8,4)5)11(2,3)7-9/h9-10H,1,6-7H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane?
2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 46173196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).