2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane

C11H15BO2 — CID 102529657

IUPAC2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(B1OCCO1)c1ccccc1
InChIInChI=1S/C11H15BO2/c1-11(2,12-13-8-9-14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyKOKRSSYTFSQQFL-UHFFFAOYSA-N
MW190.05 g/mol
LogP2.04
Rot. Bonds2

About 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane

2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane (PubChem CID 102529657) has the molecular formula C11H15BO2 and a molecular weight of 190.05 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane
PubChem CID102529657
Molecular FormulaC11H15BO2
Molecular Weight190.05 g/mol
Exact Mass190.12
IUPAC Name2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(B1OCCO1)c1ccccc1
InChIInChI=1S/C11H15BO2/c1-11(2,12-13-8-9-14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyKOKRSSYTFSQQFL-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
4,4,5,5-tetramethyl-2-[(1R)-1-(oxolan-2-yl)-1-phenylethyl]-1,3,2-dioxaborolane
CID 163408172
1,1-diphenylethyl(trimethyl)silane
CID 553309
(3S)-3-(methylamino)-3-phenylbutan-1-ol
CID 174606710
(R)-2-methyl-N-[(1S)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]propane-2-sulfinamide
CID 71659595
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane (CID 102529657) is 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane is CC(C)(B1OCCO1)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is KOKRSSYTFSQQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO2/c1-11(2,12-13-8-9-14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane?
2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 190.05 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 102529657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).