9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane

C15H29B — CID 135048513

IUPAC9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane
SMILESCC(C)C(C)C(C)B1C2CCCC1CCC2
InChIInChI=1S/C15H29B/c1-11(2)12(3)13(4)16-14-7-5-8-15(16)10-6-9-14/h11-15H,5-10H2,1-4H3
InChIKeyQCIRXFNUNGDONE-UHFFFAOYSA-N
MW220.21 g/mol
LogP5.27
Rot. Bonds3

About 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane

9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane (PubChem CID 135048513) has the molecular formula C15H29B and a molecular weight of 220.21 g/mol. Its IUPAC name is 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane
PubChem CID135048513
Molecular FormulaC15H29B
Molecular Weight220.21 g/mol
Exact Mass220.24
IUPAC Name9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane
SMILESCC(C)C(C)C(C)B1C2CCCC1CCC2
InChIInChI=1S/C15H29B/c1-11(2)12(3)13(4)16-14-7-5-8-15(16)10-6-9-14/h11-15H,5-10H2,1-4H3
InChIKeyQCIRXFNUNGDONE-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.21
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[1-(9-borabicyclo[3.3.1]nonan-9-yl)-1-cyclohexylpropan-2-yl]-9-borabicyclo[3.3.1]nonane
CID 134903569
2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane
CID 12664965
1-cyclobutyl-2,3-dimethylbutan-1-ol
CID 115837893
N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
CID 160722354
4-[(1R,2S)-2-(9-borabicyclo[3.3.1]nonan-9-yl)-1-phenylpropyl]morpholine
CID 135048781
1-cyclobutyl-N,2,3-trimethylbutan-1-amine
CID 105049433
3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane
CID 14973651
9-methylselanyl-9-borabicyclo[3.3.1]nonane
CID 578631
cis-(1R,2S)-1-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopentane
CID 163236440
3,4,5-trimethylhexan-2-ylcyclopropane
CID 91122499
N-(2,3-dimethylbutyl)-2,6-dimethylcyclohexan-1-amine
CID 64569259
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane?
The IUPAC name of 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane (CID 135048513) is 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane?
The canonical SMILES for 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane is CC(C)C(C)C(C)B1C2CCCC1CCC2.
What is the InChIKey of 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane?
The InChIKey is QCIRXFNUNGDONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29B/c1-11(2)12(3)13(4)16-14-7-5-8-15(16)10-6-9-14/h11-15H,5-10H2,1-4H3.
What are the key properties of 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane?
9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane has a molecular weight of 220.21 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane is sourced from PubChem (CID 135048513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).