9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane

C11H19BO — CID 534879

IUPAC9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane
SMILESC=CCOB1C2CCCC1CCC2
InChIInChI=1S/C11H19BO/c1-2-9-13-12-10-5-3-6-11(12)8-4-7-10/h2,10-11H,1,3-9H2
InChIKeyHPPCBFIUGCHKLF-UHFFFAOYSA-N
MW178.08 g/mol
LogP3.29
Rot. Bonds3

About 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane

9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane (PubChem CID 534879) has the molecular formula C11H19BO and a molecular weight of 178.08 g/mol. Its IUPAC name is 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane
PubChem CID534879
Molecular FormulaC11H19BO
Molecular Weight178.08 g/mol
Exact Mass178.15
IUPAC Name9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane
SMILESC=CCOB1C2CCCC1CCC2
InChIInChI=1S/C11H19BO/c1-2-9-13-12-10-5-3-6-11(12)8-4-7-10/h2,10-11H,1,3-9H2
InChIKeyHPPCBFIUGCHKLF-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane?
The IUPAC name of 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane (CID 534879) is 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane?
The canonical SMILES for 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane is C=CCOB1C2CCCC1CCC2.
What is the InChIKey of 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane?
The InChIKey is HPPCBFIUGCHKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BO/c1-2-9-13-12-10-5-3-6-11(12)8-4-7-10/h2,10-11H,1,3-9H2.
What are the key properties of 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane?
9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane has a molecular weight of 178.08 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane is sourced from PubChem (CID 534879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).