9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane

C11H21BO — CID 121221251

IUPAC9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane
SMILESCC1(C)B(O)C2CCCC1CCC2
InChIInChI=1S/C11H21BO/c1-11(2)9-5-3-7-10(12(11)13)8-4-6-9/h9-10,13H,3-8H2,1-2H3
InChIKeyHPVJHUWHFZGZKG-UHFFFAOYSA-N
MW180.10 g/mol
LogP3.10
Rot. Bonds

About 9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane

9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane (PubChem CID 121221251) has the molecular formula C11H21BO and a molecular weight of 180.10 g/mol. Its IUPAC name is 9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane.

Molecular Properties

Compound Name9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane
PubChem CID121221251
Molecular FormulaC11H21BO
Molecular Weight180.10 g/mol
Exact Mass180.17
IUPAC Name9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane
SMILESCC1(C)B(O)C2CCCC1CCC2
InChIInChI=1S/C11H21BO/c1-11(2)9-5-3-7-10(12(11)13)8-4-6-9/h9-10,13H,3-8H2,1-2H3
InChIKeyHPVJHUWHFZGZKG-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 53.10
H-Bond Donors ≤ 51
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-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane?
The IUPAC name of 9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane (CID 121221251) is 9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane.
What is the SMILES notation for 9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane?
The canonical SMILES for 9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane is CC1(C)B(O)C2CCCC1CCC2.
What is the InChIKey of 9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane?
The InChIKey is HPVJHUWHFZGZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO/c1-11(2)9-5-3-7-10(12(11)13)8-4-6-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane?
9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane has a molecular weight of 180.10 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane is sourced from PubChem (CID 121221251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).