3-ethoxyspiro[3.5]nonan-1-ol

C11H20O2 — CID 54595222

IUPAC3-ethoxyspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCCCC2
InChIInChI=1S/C11H20O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10,12H,2-8H2,1H3
InChIKeyXNSLECDIDNVTEC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.11
Rot. Bonds2

About 3-ethoxyspiro[3.5]nonan-1-ol

3-ethoxyspiro[3.5]nonan-1-ol (PubChem CID 54595222) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-ethoxyspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxyspiro[3.5]nonan-1-ol
PubChem CID54595222
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-ethoxyspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCCCC2
InChIInChI=1S/C11H20O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10,12H,2-8H2,1H3
InChIKeyXNSLECDIDNVTEC-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxyspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxyspiro[3.5]nonan-1-ol (CID 54595222) is 3-ethoxyspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxyspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxyspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCCCC2.
What is the InChIKey of 3-ethoxyspiro[3.5]nonan-1-ol?
The InChIKey is XNSLECDIDNVTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-ethoxyspiro[3.5]nonan-1-ol?
3-ethoxyspiro[3.5]nonan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyspiro[3.5]nonan-1-ol is sourced from PubChem (CID 54595222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).