2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene

C11H18 — CID 142697748

IUPAC2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene
SMILESCC1=C2CC(CC1C)C2(C)C
InChIInChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h7,9H,5-6H2,1-4H3
InChIKeyKKRZBQSWVGEXAZ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds

About 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene

2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene (PubChem CID 142697748) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene.

Molecular Properties

Compound Name2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene
PubChem CID142697748
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene
SMILESCC1=C2CC(CC1C)C2(C)C
InChIInChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h7,9H,5-6H2,1-4H3
InChIKeyKKRZBQSWVGEXAZ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
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 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene?
The IUPAC name of 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene (CID 142697748) is 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene.
What is the SMILES notation for 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene?
The canonical SMILES for 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene is CC1=C2CC(CC1C)C2(C)C.
What is the InChIKey of 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene?
The InChIKey is KKRZBQSWVGEXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene?
2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene has a molecular weight of 150.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene is sourced from PubChem (CID 142697748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).