1,2,2-trimethylbicyclo[3.2.1]octane

C11H20 — CID 19758606

IUPAC1,2,2-trimethylbicyclo[3.2.1]octane
SMILESCC1(C)CCC2CCC1(C)C2
InChIInChI=1S/C11H20/c1-10(2)6-4-9-5-7-11(10,3)8-9/h9H,4-8H2,1-3H3
InChIKeyVPAFWXNBOBAHBU-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds

About 1,2,2-trimethylbicyclo[3.2.1]octane

1,2,2-trimethylbicyclo[3.2.1]octane (PubChem CID 19758606) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1,2,2-trimethylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,2,2-trimethylbicyclo[3.2.1]octane
PubChem CID19758606
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1,2,2-trimethylbicyclo[3.2.1]octane
SMILESCC1(C)CCC2CCC1(C)C2
InChIInChI=1S/C11H20/c1-10(2)6-4-9-5-7-11(10,3)8-9/h9H,4-8H2,1-3H3
InChIKeyVPAFWXNBOBAHBU-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylbicyclo[3.2.1]octane?
The IUPAC name of 1,2,2-trimethylbicyclo[3.2.1]octane (CID 19758606) is 1,2,2-trimethylbicyclo[3.2.1]octane.
What is the SMILES notation for 1,2,2-trimethylbicyclo[3.2.1]octane?
The canonical SMILES for 1,2,2-trimethylbicyclo[3.2.1]octane is CC1(C)CCC2CCC1(C)C2.
What is the InChIKey of 1,2,2-trimethylbicyclo[3.2.1]octane?
The InChIKey is VPAFWXNBOBAHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-10(2)6-4-9-5-7-11(10,3)8-9/h9H,4-8H2,1-3H3.
What are the key properties of 1,2,2-trimethylbicyclo[3.2.1]octane?
1,2,2-trimethylbicyclo[3.2.1]octane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylbicyclo[3.2.1]octane is sourced from PubChem (CID 19758606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).