2,2,7-trimethylbicyclo[2.2.1]heptane

C10H18 — CID 18669850

IUPAC2,2,7-trimethylbicyclo[2.2.1]heptane
SMILESCC1C2CCC1C(C)(C)C2
InChIInChI=1S/C10H18/c1-7-8-4-5-9(7)10(2,3)6-8/h7-9H,4-6H2,1-3H3
InChIKeyAGIBKNCEBZJBLA-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds

About 2,2,7-trimethylbicyclo[2.2.1]heptane

2,2,7-trimethylbicyclo[2.2.1]heptane (PubChem CID 18669850) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,2,7-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2,7-trimethylbicyclo[2.2.1]heptane
PubChem CID18669850
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,2,7-trimethylbicyclo[2.2.1]heptane
SMILESCC1C2CCC1C(C)(C)C2
InChIInChI=1S/C10H18/c1-7-8-4-5-9(7)10(2,3)6-8/h7-9H,4-6H2,1-3H3
InChIKeyAGIBKNCEBZJBLA-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2,2,7-trimethylbicyclo[2.2.1]heptane (CID 18669850) is 2,2,7-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2,7-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,2,7-trimethylbicyclo[2.2.1]heptane is CC1C2CCC1C(C)(C)C2.
What is the InChIKey of 2,2,7-trimethylbicyclo[2.2.1]heptane?
The InChIKey is AGIBKNCEBZJBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7-8-4-5-9(7)10(2,3)6-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,2,7-trimethylbicyclo[2.2.1]heptane?
2,2,7-trimethylbicyclo[2.2.1]heptane has a molecular weight of 138.25 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 2,2,7-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 18669850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).