dimethyl(2-phenylpropan-2-yl)borane

C11H17B — CID 154556081

IUPACdimethyl(2-phenylpropan-2-yl)borane
SMILESCB(C)C(C)(C)c1ccccc1
InChIInChI=1S/C11H17B/c1-11(2,12(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyVMYAHYUBFGHYTN-UHFFFAOYSA-N
MW160.07 g/mol
LogP3.26
Rot. Bonds2

About dimethyl(2-phenylpropan-2-yl)borane

dimethyl(2-phenylpropan-2-yl)borane (PubChem CID 154556081) has the molecular formula C11H17B and a molecular weight of 160.07 g/mol. Its IUPAC name is dimethyl(2-phenylpropan-2-yl)borane.

Molecular Properties

Compound Namedimethyl(2-phenylpropan-2-yl)borane
PubChem CID154556081
Molecular FormulaC11H17B
Molecular Weight160.07 g/mol
Exact Mass160.14
IUPAC Namedimethyl(2-phenylpropan-2-yl)borane
SMILESCB(C)C(C)(C)c1ccccc1
InChIInChI=1S/C11H17B/c1-11(2,12(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyVMYAHYUBFGHYTN-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 53.26
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

tert-butylbenzene;methanimine
CID 174908280
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
(1-bromo-1-phenylethyl)benzene
CID 19019197
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
1,1-difluoroethylbenzene
CID 10942535
1,1-diphenylethanamine
CID 12761172
CID 177002326
CID 177002326
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418

Frequently Asked Questions

What is the IUPAC name of dimethyl(2-phenylpropan-2-yl)borane?
The IUPAC name of dimethyl(2-phenylpropan-2-yl)borane (CID 154556081) is dimethyl(2-phenylpropan-2-yl)borane.
What is the SMILES notation for dimethyl(2-phenylpropan-2-yl)borane?
The canonical SMILES for dimethyl(2-phenylpropan-2-yl)borane is CB(C)C(C)(C)c1ccccc1.
What is the InChIKey of dimethyl(2-phenylpropan-2-yl)borane?
The InChIKey is VMYAHYUBFGHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17B/c1-11(2,12(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of dimethyl(2-phenylpropan-2-yl)borane?
dimethyl(2-phenylpropan-2-yl)borane has a molecular weight of 160.07 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-phenylpropan-2-yl)borane is sourced from PubChem (CID 154556081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).