2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane

C11H20O — CID 59169341

IUPAC2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane
SMILESCOC(C)(C)C1CC2CCC1C2
InChIInChI=1S/C11H20O/c1-11(2,12-3)10-7-8-4-5-9(10)6-8/h8-10H,4-7H2,1-3H3
InChIKeyXVTHJXYFKZYHDD-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds2

About 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane

2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane (PubChem CID 59169341) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane
PubChem CID59169341
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane
SMILESCOC(C)(C)C1CC2CCC1C2
InChIInChI=1S/C11H20O/c1-11(2,12-3)10-7-8-4-5-9(10)6-8/h8-10H,4-7H2,1-3H3
InChIKeyXVTHJXYFKZYHDD-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane (CID 59169341) is 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane is COC(C)(C)C1CC2CCC1C2.
What is the InChIKey of 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is XVTHJXYFKZYHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2,12-3)10-7-8-4-5-9(10)6-8/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane?
2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 168.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 59169341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).