4-ethoxybicyclo[3.3.1]non-2-en-9-ol

C11H18O2 — CID 89144786

IUPAC4-ethoxybicyclo[3.3.1]non-2-en-9-ol
SMILESCCOC1C=CC2CCCC1C2O
InChIInChI=1S/C11H18O2/c1-2-13-10-7-6-8-4-3-5-9(10)11(8)12/h6-12H,2-5H2,1H3
InChIKeyAIJCUYPVTOYPJB-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.74
Rot. Bonds2

About 4-ethoxybicyclo[3.3.1]non-2-en-9-ol

4-ethoxybicyclo[3.3.1]non-2-en-9-ol (PubChem CID 89144786) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-ethoxybicyclo[3.3.1]non-2-en-9-ol.

Molecular Properties

Compound Name4-ethoxybicyclo[3.3.1]non-2-en-9-ol
PubChem CID89144786
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-ethoxybicyclo[3.3.1]non-2-en-9-ol
SMILESCCOC1C=CC2CCCC1C2O
InChIInChI=1S/C11H18O2/c1-2-13-10-7-6-8-4-3-5-9(10)11(8)12/h6-12H,2-5H2,1H3
InChIKeyAIJCUYPVTOYPJB-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxybicyclo[3.3.1]non-2-en-9-ol?
The IUPAC name of 4-ethoxybicyclo[3.3.1]non-2-en-9-ol (CID 89144786) is 4-ethoxybicyclo[3.3.1]non-2-en-9-ol.
What is the SMILES notation for 4-ethoxybicyclo[3.3.1]non-2-en-9-ol?
The canonical SMILES for 4-ethoxybicyclo[3.3.1]non-2-en-9-ol is CCOC1C=CC2CCCC1C2O.
What is the InChIKey of 4-ethoxybicyclo[3.3.1]non-2-en-9-ol?
The InChIKey is AIJCUYPVTOYPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-13-10-7-6-8-4-3-5-9(10)11(8)12/h6-12H,2-5H2,1H3.
What are the key properties of 4-ethoxybicyclo[3.3.1]non-2-en-9-ol?
4-ethoxybicyclo[3.3.1]non-2-en-9-ol has a molecular weight of 182.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybicyclo[3.3.1]non-2-en-9-ol is sourced from PubChem (CID 89144786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).