5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane

C10H18O — CID 167404772

IUPAC5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane
SMILESCC(C)CC1CC2CC1CO2
InChIInChI=1S/C10H18O/c1-7(2)3-8-4-10-5-9(8)6-11-10/h7-10H,3-6H2,1-2H3
InChIKeyGELIZLOBIDMSRR-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds2

About 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane

5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane (PubChem CID 167404772) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane
PubChem CID167404772
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane
SMILESCC(C)CC1CC2CC1CO2
InChIInChI=1S/C10H18O/c1-7(2)3-8-4-10-5-9(8)6-11-10/h7-10H,3-6H2,1-2H3
InChIKeyGELIZLOBIDMSRR-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane?
The IUPAC name of 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane (CID 167404772) is 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane is CC(C)CC1CC2CC1CO2.
What is the InChIKey of 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane?
The InChIKey is GELIZLOBIDMSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)3-8-4-10-5-9(8)6-11-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane?
5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 167404772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).