2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane

C11H18O — CID 147120745

IUPAC2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane
SMILESCC1(C)OC2CC1CC1CC12C
InChIInChI=1S/C11H18O/c1-10(2)7-4-8-6-11(8,3)9(5-7)12-10/h7-9H,4-6H2,1-3H3
InChIKeyBOHQBNVOSOQZSM-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.60
Rot. Bonds

About 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane

2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane (PubChem CID 147120745) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane.

Molecular Properties

Compound Name2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane
PubChem CID147120745
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane
SMILESCC1(C)OC2CC1CC1CC12C
InChIInChI=1S/C11H18O/c1-10(2)7-4-8-6-11(8,3)9(5-7)12-10/h7-9H,4-6H2,1-3H3
InChIKeyBOHQBNVOSOQZSM-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane?
The IUPAC name of 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane (CID 147120745) is 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane.
What is the SMILES notation for 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane?
The canonical SMILES for 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane is CC1(C)OC2CC1CC1CC12C.
What is the InChIKey of 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane?
The InChIKey is BOHQBNVOSOQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)7-4-8-6-11(8,3)9(5-7)12-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane?
2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane has a molecular weight of 166.26 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-8-oxatricyclo[4.2.1.02,4]nonane is sourced from PubChem (CID 147120745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).