[2,4,6-tri(propan-2-yl)phenyl]borane

C15H25B — CID 14976181

IUPAC[2,4,6-tri(propan-2-yl)phenyl]borane
SMILESBc1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C15H25B/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3
InChIKeyCYYPZPRCSYEYMR-UHFFFAOYSA-N
MW216.18 g/mol
LogP3.32
Rot. Bonds3

About [2,4,6-tri(propan-2-yl)phenyl]borane

[2,4,6-tri(propan-2-yl)phenyl]borane (PubChem CID 14976181) has the molecular formula C15H25B and a molecular weight of 216.18 g/mol. Its IUPAC name is [2,4,6-tri(propan-2-yl)phenyl]borane.

Molecular Properties

Compound Name[2,4,6-tri(propan-2-yl)phenyl]borane
PubChem CID14976181
Molecular FormulaC15H25B
Molecular Weight216.18 g/mol
Exact Mass216.20
IUPAC Name[2,4,6-tri(propan-2-yl)phenyl]borane
SMILESBc1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C15H25B/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3
InChIKeyCYYPZPRCSYEYMR-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 53.32
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

bis[2,4,6-tri(propan-2-yl)phenyl]germane
CID 71343686
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
CID 101233862
CID 101233862
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
CID 23175245
CID 23175245
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
CID 175757661
CID 175757661
2-ethenyl-1,3,5-tri(propan-2-yl)benzene
CID 12920624
[2,4,6-tri(propan-2-yl)phenyl]tellanyllithium
CID 134893243
bis[2,4,6-tri(propan-2-yl)phenyl]borinic acid
CID 139174643
2-hydroxysulfanyl-1,3,5-tri(propan-2-yl)benzene;methanol
CID 145144506
2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene;ethane
CID 143865267

Frequently Asked Questions

What is the IUPAC name of [2,4,6-tri(propan-2-yl)phenyl]borane?
The IUPAC name of [2,4,6-tri(propan-2-yl)phenyl]borane (CID 14976181) is [2,4,6-tri(propan-2-yl)phenyl]borane.
What is the SMILES notation for [2,4,6-tri(propan-2-yl)phenyl]borane?
The canonical SMILES for [2,4,6-tri(propan-2-yl)phenyl]borane is Bc1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of [2,4,6-tri(propan-2-yl)phenyl]borane?
The InChIKey is CYYPZPRCSYEYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25B/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3.
What are the key properties of [2,4,6-tri(propan-2-yl)phenyl]borane?
[2,4,6-tri(propan-2-yl)phenyl]borane has a molecular weight of 216.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-tri(propan-2-yl)phenyl]borane is sourced from PubChem (CID 14976181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).