1,2-dimethylbicyclo[2.2.2]octane

C10H18 — CID 71400690

IUPAC1,2-dimethylbicyclo[2.2.2]octane
SMILESCC1CC2CCC1(C)CC2
InChIInChI=1S/C10H18/c1-8-7-9-3-5-10(8,2)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyDNMMOJFNWUQMHT-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds

About 1,2-dimethylbicyclo[2.2.2]octane

1,2-dimethylbicyclo[2.2.2]octane (PubChem CID 71400690) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2-dimethylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1,2-dimethylbicyclo[2.2.2]octane
PubChem CID71400690
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2-dimethylbicyclo[2.2.2]octane
SMILESCC1CC2CCC1(C)CC2
InChIInChI=1S/C10H18/c1-8-7-9-3-5-10(8,2)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyDNMMOJFNWUQMHT-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbicyclo[2.2.2]octane?
The IUPAC name of 1,2-dimethylbicyclo[2.2.2]octane (CID 71400690) is 1,2-dimethylbicyclo[2.2.2]octane.
What is the SMILES notation for 1,2-dimethylbicyclo[2.2.2]octane?
The canonical SMILES for 1,2-dimethylbicyclo[2.2.2]octane is CC1CC2CCC1(C)CC2.
What is the InChIKey of 1,2-dimethylbicyclo[2.2.2]octane?
The InChIKey is DNMMOJFNWUQMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-7-9-3-5-10(8,2)6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1,2-dimethylbicyclo[2.2.2]octane?
1,2-dimethylbicyclo[2.2.2]octane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbicyclo[2.2.2]octane is sourced from PubChem (CID 71400690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).