2,2,6-trimethyltricyclo[5.1.0.01,3]octane

C11H18 — CID 14568305

IUPAC2,2,6-trimethyltricyclo[5.1.0.01,3]octane
SMILESCC1CCC2C(C)(C)C23CC13
InChIInChI=1S/C11H18/c1-7-4-5-9-10(2,3)11(9)6-8(7)11/h7-9H,4-6H2,1-3H3
InChIKeyBUSJRJWHDINRFV-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.08
Rot. Bonds

About 2,2,6-trimethyltricyclo[5.1.0.01,3]octane

2,2,6-trimethyltricyclo[5.1.0.01,3]octane (PubChem CID 14568305) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2,2,6-trimethyltricyclo[5.1.0.01,3]octane.

Molecular Properties

Compound Name2,2,6-trimethyltricyclo[5.1.0.01,3]octane
PubChem CID14568305
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name2,2,6-trimethyltricyclo[5.1.0.01,3]octane
SMILESCC1CCC2C(C)(C)C23CC13
InChIInChI=1S/C11H18/c1-7-4-5-9-10(2,3)11(9)6-8(7)11/h7-9H,4-6H2,1-3H3
InChIKeyBUSJRJWHDINRFV-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyltricyclo[5.1.0.01,3]octane?
The IUPAC name of 2,2,6-trimethyltricyclo[5.1.0.01,3]octane (CID 14568305) is 2,2,6-trimethyltricyclo[5.1.0.01,3]octane.
What is the SMILES notation for 2,2,6-trimethyltricyclo[5.1.0.01,3]octane?
The canonical SMILES for 2,2,6-trimethyltricyclo[5.1.0.01,3]octane is CC1CCC2C(C)(C)C23CC13.
What is the InChIKey of 2,2,6-trimethyltricyclo[5.1.0.01,3]octane?
The InChIKey is BUSJRJWHDINRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-7-4-5-9-10(2,3)11(9)6-8(7)11/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,2,6-trimethyltricyclo[5.1.0.01,3]octane?
2,2,6-trimethyltricyclo[5.1.0.01,3]octane has a molecular weight of 150.27 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyltricyclo[5.1.0.01,3]octane is sourced from PubChem (CID 14568305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).