3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol

C12H22O2 — CID 146557628

IUPAC3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol
SMILESCCOC1(C)CC2CCCC(C1)C2O
InChIInChI=1S/C12H22O2/c1-3-14-12(2)7-9-5-4-6-10(8-12)11(9)13/h9-11,13H,3-8H2,1-2H3
InChIKeyZQINFNIYOVJCIC-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds2

About 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol

3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol (PubChem CID 146557628) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol
PubChem CID146557628
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol
SMILESCCOC1(C)CC2CCCC(C1)C2O
InChIInChI=1S/C12H22O2/c1-3-14-12(2)7-9-5-4-6-10(8-12)11(9)13/h9-11,13H,3-8H2,1-2H3
InChIKeyZQINFNIYOVJCIC-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol (CID 146557628) is 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol is CCOC1(C)CC2CCCC(C1)C2O.
What is the InChIKey of 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol?
The InChIKey is ZQINFNIYOVJCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-14-12(2)7-9-5-4-6-10(8-12)11(9)13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol?
3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol has a molecular weight of 198.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 146557628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).