9-methyl-3-oxa-9-boraspiro[5.5]undecane

C10H19BO — CID 89312709

IUPAC9-methyl-3-oxa-9-boraspiro[5.5]undecane
SMILESCB1CCC2(CCOCC2)CC1
InChIInChI=1S/C10H19BO/c1-11-6-2-10(3-7-11)4-8-12-9-5-10/h2-9H2,1H3
InChIKeyGUJFXYCMYVYAAD-UHFFFAOYSA-N
MW166.07 g/mol
LogP2.70
Rot. Bonds

About 9-methyl-3-oxa-9-boraspiro[5.5]undecane

9-methyl-3-oxa-9-boraspiro[5.5]undecane (PubChem CID 89312709) has the molecular formula C10H19BO and a molecular weight of 166.07 g/mol. Its IUPAC name is 9-methyl-3-oxa-9-boraspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-3-oxa-9-boraspiro[5.5]undecane
PubChem CID89312709
Molecular FormulaC10H19BO
Molecular Weight166.07 g/mol
Exact Mass166.15
IUPAC Name9-methyl-3-oxa-9-boraspiro[5.5]undecane
SMILESCB1CCC2(CCOCC2)CC1
InChIInChI=1S/C10H19BO/c1-11-6-2-10(3-7-11)4-8-12-9-5-10/h2-9H2,1H3
InChIKeyGUJFXYCMYVYAAD-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-oxa-9-boraspiro[5.5]undecane?
The IUPAC name of 9-methyl-3-oxa-9-boraspiro[5.5]undecane (CID 89312709) is 9-methyl-3-oxa-9-boraspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-3-oxa-9-boraspiro[5.5]undecane?
The canonical SMILES for 9-methyl-3-oxa-9-boraspiro[5.5]undecane is CB1CCC2(CCOCC2)CC1.
What is the InChIKey of 9-methyl-3-oxa-9-boraspiro[5.5]undecane?
The InChIKey is GUJFXYCMYVYAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO/c1-11-6-2-10(3-7-11)4-8-12-9-5-10/h2-9H2,1H3.
What are the key properties of 9-methyl-3-oxa-9-boraspiro[5.5]undecane?
9-methyl-3-oxa-9-boraspiro[5.5]undecane has a molecular weight of 166.07 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-oxa-9-boraspiro[5.5]undecane is sourced from PubChem (CID 89312709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).