1-ethoxybicyclo[3.2.2]nonan-2-one

C11H18O2 — CID 10773781

IUPAC1-ethoxybicyclo[3.2.2]nonan-2-one
SMILESCCOC12CCC(CCC1=O)CC2
InChIInChI=1S/C11H18O2/c1-2-13-11-7-5-9(6-8-11)3-4-10(11)12/h9H,2-8H2,1H3
InChIKeyCROFOBGXOYRUGQ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds2

About 1-ethoxybicyclo[3.2.2]nonan-2-one

1-ethoxybicyclo[3.2.2]nonan-2-one (PubChem CID 10773781) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-ethoxybicyclo[3.2.2]nonan-2-one.

Molecular Properties

Compound Name1-ethoxybicyclo[3.2.2]nonan-2-one
PubChem CID10773781
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-ethoxybicyclo[3.2.2]nonan-2-one
SMILESCCOC12CCC(CCC1=O)CC2
InChIInChI=1S/C11H18O2/c1-2-13-11-7-5-9(6-8-11)3-4-10(11)12/h9H,2-8H2,1H3
InChIKeyCROFOBGXOYRUGQ-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxybicyclo[3.2.2]nonan-2-one?
The IUPAC name of 1-ethoxybicyclo[3.2.2]nonan-2-one (CID 10773781) is 1-ethoxybicyclo[3.2.2]nonan-2-one.
What is the SMILES notation for 1-ethoxybicyclo[3.2.2]nonan-2-one?
The canonical SMILES for 1-ethoxybicyclo[3.2.2]nonan-2-one is CCOC12CCC(CCC1=O)CC2.
What is the InChIKey of 1-ethoxybicyclo[3.2.2]nonan-2-one?
The InChIKey is CROFOBGXOYRUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-13-11-7-5-9(6-8-11)3-4-10(11)12/h9H,2-8H2,1H3.
What are the key properties of 1-ethoxybicyclo[3.2.2]nonan-2-one?
1-ethoxybicyclo[3.2.2]nonan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybicyclo[3.2.2]nonan-2-one is sourced from PubChem (CID 10773781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).