2-propan-2-yloxybicyclo[2.2.2]octane

C11H20O — CID 58787050

IUPAC2-propan-2-yloxybicyclo[2.2.2]octane
SMILESCC(C)OC1CC2CCC1CC2
InChIInChI=1S/C11H20O/c1-8(2)12-11-7-9-3-5-10(11)6-4-9/h8-11H,3-7H2,1-2H3
InChIKeyBSDNINJSMLTRPB-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds2

About 2-propan-2-yloxybicyclo[2.2.2]octane

2-propan-2-yloxybicyclo[2.2.2]octane (PubChem CID 58787050) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-propan-2-yloxybicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-propan-2-yloxybicyclo[2.2.2]octane
PubChem CID58787050
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-propan-2-yloxybicyclo[2.2.2]octane
SMILESCC(C)OC1CC2CCC1CC2
InChIInChI=1S/C11H20O/c1-8(2)12-11-7-9-3-5-10(11)6-4-9/h8-11H,3-7H2,1-2H3
InChIKeyBSDNINJSMLTRPB-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxybicyclo[2.2.2]octane?
The IUPAC name of 2-propan-2-yloxybicyclo[2.2.2]octane (CID 58787050) is 2-propan-2-yloxybicyclo[2.2.2]octane.
What is the SMILES notation for 2-propan-2-yloxybicyclo[2.2.2]octane?
The canonical SMILES for 2-propan-2-yloxybicyclo[2.2.2]octane is CC(C)OC1CC2CCC1CC2.
What is the InChIKey of 2-propan-2-yloxybicyclo[2.2.2]octane?
The InChIKey is BSDNINJSMLTRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)12-11-7-9-3-5-10(11)6-4-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yloxybicyclo[2.2.2]octane?
2-propan-2-yloxybicyclo[2.2.2]octane has a molecular weight of 168.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxybicyclo[2.2.2]octane is sourced from PubChem (CID 58787050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).