3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane

C12H22O — CID 67567829

IUPAC3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane
SMILESCCC1(OC)CC2CCC(C1)C2C
InChIInChI=1S/C12H22O/c1-4-12(13-3)7-10-5-6-11(8-12)9(10)2/h9-11H,4-8H2,1-3H3
InChIKeyWJGGSRLCOCSFIB-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.24
Rot. Bonds2

About 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane

3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane (PubChem CID 67567829) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane
PubChem CID67567829
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane
SMILESCCC1(OC)CC2CCC(C1)C2C
InChIInChI=1S/C12H22O/c1-4-12(13-3)7-10-5-6-11(8-12)9(10)2/h9-11H,4-8H2,1-3H3
InChIKeyWJGGSRLCOCSFIB-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane?
The IUPAC name of 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane (CID 67567829) is 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane?
The canonical SMILES for 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane is CCC1(OC)CC2CCC(C1)C2C.
What is the InChIKey of 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane?
The InChIKey is WJGGSRLCOCSFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-12(13-3)7-10-5-6-11(8-12)9(10)2/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane?
3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane has a molecular weight of 182.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane is sourced from PubChem (CID 67567829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).