(2-dimethylboranyl-1-phenylethyl)-dimethylborane

C12H20B2 — CID 102068889

IUPAC(2-dimethylboranyl-1-phenylethyl)-dimethylborane
SMILESCB(C)CC(B(C)C)c1ccccc1
InChIInChI=1S/C12H20B2/c1-13(2)10-12(14(3)4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChIKeyPBXAADDZJOEJBK-UHFFFAOYSA-N
MW185.92 g/mol
LogP3.82
Rot. Bonds4

About (2-dimethylboranyl-1-phenylethyl)-dimethylborane

(2-dimethylboranyl-1-phenylethyl)-dimethylborane (PubChem CID 102068889) has the molecular formula C12H20B2 and a molecular weight of 185.92 g/mol. Its IUPAC name is (2-dimethylboranyl-1-phenylethyl)-dimethylborane.

Molecular Properties

Compound Name(2-dimethylboranyl-1-phenylethyl)-dimethylborane
PubChem CID102068889
Molecular FormulaC12H20B2
Molecular Weight185.92 g/mol
Exact Mass186.18
IUPAC Name(2-dimethylboranyl-1-phenylethyl)-dimethylborane
SMILESCB(C)CC(B(C)C)c1ccccc1
InChIInChI=1S/C12H20B2/c1-13(2)10-12(14(3)4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChIKeyPBXAADDZJOEJBK-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.92
LogP ≤ 53.82
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

diphenylmethanolate
CID 57466266
cumene;hydrogen peroxide
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sodium diphenylmethanolate
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(1S,2R)-2-deuterio-1-phenylpropan-1-ol
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[[hydroxy(phenyl)methyl]-dimethylsilyl]-phenylmethanol
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(1S)-1-phenylethanol
CID 157125626
benzene;2-phenylethane-1,1,2-triol
CID 174439943
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
2-phenyl-2-phenylsulfanylethanol
CID 11264720
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
(2S)-2-bromo-2-deuterio-1-phenylethanol
CID 71507175

Frequently Asked Questions

What is the IUPAC name of (2-dimethylboranyl-1-phenylethyl)-dimethylborane?
The IUPAC name of (2-dimethylboranyl-1-phenylethyl)-dimethylborane (CID 102068889) is (2-dimethylboranyl-1-phenylethyl)-dimethylborane.
What is the SMILES notation for (2-dimethylboranyl-1-phenylethyl)-dimethylborane?
The canonical SMILES for (2-dimethylboranyl-1-phenylethyl)-dimethylborane is CB(C)CC(B(C)C)c1ccccc1.
What is the InChIKey of (2-dimethylboranyl-1-phenylethyl)-dimethylborane?
The InChIKey is PBXAADDZJOEJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20B2/c1-13(2)10-12(14(3)4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3.
What are the key properties of (2-dimethylboranyl-1-phenylethyl)-dimethylborane?
(2-dimethylboranyl-1-phenylethyl)-dimethylborane has a molecular weight of 185.92 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dimethylboranyl-1-phenylethyl)-dimethylborane is sourced from PubChem (CID 102068889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).