2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane

C11H20O — CID 167076550

IUPAC2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane
SMILESCCC(C)(C)C1CC2CCC1O2
InChIInChI=1S/C11H20O/c1-4-11(2,3)9-7-8-5-6-10(9)12-8/h8-10H,4-7H2,1-3H3
InChIKeyNUBGMPFWVWWWBT-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds2

About 2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane

2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane (PubChem CID 167076550) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane
PubChem CID167076550
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane
SMILESCCC(C)(C)C1CC2CCC1O2
InChIInChI=1S/C11H20O/c1-4-11(2,3)9-7-8-5-6-10(9)12-8/h8-10H,4-7H2,1-3H3
InChIKeyNUBGMPFWVWWWBT-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-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane (CID 167076550) is 2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane is CCC(C)(C)C1CC2CCC1O2.
What is the InChIKey of 2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane?
The InChIKey is NUBGMPFWVWWWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-11(2,3)9-7-8-5-6-10(9)12-8/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane?
2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane 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-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 167076550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).