triethyl(2-phenylbutan-2-yl)boranuide

C16H28B- — CID 135048393

IUPACtriethyl(2-phenylbutan-2-yl)boranuide
SMILESCC[B-](CC)(CC)C(C)(CC)c1ccccc1
InChIInChI=1S/C16H28B/c1-6-16(5,15-13-11-10-12-14-15)17(7-2,8-3)9-4/h10-14H,6-9H2,1-5H3/q-1
InChIKeyULXOKOZAUSQRCB-UHFFFAOYSA-N
MW231.21 g/mol
LogP5.40
Rot. Bonds6

About triethyl(2-phenylbutan-2-yl)boranuide

triethyl(2-phenylbutan-2-yl)boranuide (PubChem CID 135048393) has the molecular formula C16H28B- and a molecular weight of 231.21 g/mol. Its IUPAC name is triethyl(2-phenylbutan-2-yl)boranuide.

Molecular Properties

Compound Nametriethyl(2-phenylbutan-2-yl)boranuide
PubChem CID135048393
Molecular FormulaC16H28B-
Molecular Weight231.21 g/mol
Exact Mass231.23
IUPAC Nametriethyl(2-phenylbutan-2-yl)boranuide
SMILESCC[B-](CC)(CC)C(C)(CC)c1ccccc1
InChIInChI=1S/C16H28B/c1-6-16(5,15-13-11-10-12-14-15)17(7-2,8-3)9-4/h10-14H,6-9H2,1-5H3/q-1
InChIKeyULXOKOZAUSQRCB-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.21
LogP ≤ 55.40
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

3,3,4,5,5-pentamethylheptan-4-ylbenzene
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(3-ethyl-4,4-dimethylhexan-3-yl)benzene
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2-chlorobutan-2-ylbenzene;ethane
CID 123404536
2-ethyl-2-methyl-3,3-diphenylbutanal
CID 175440032
1,1-diphenylpropyl(oxo)phosphanium
CID 154152930
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
(4,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 59841354
3-phenylpentan-3-ylstibane
CID 173061066
tert-butylbenzene;hexane
CID 175254424
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456

Frequently Asked Questions

What is the IUPAC name of triethyl(2-phenylbutan-2-yl)boranuide?
The IUPAC name of triethyl(2-phenylbutan-2-yl)boranuide (CID 135048393) is triethyl(2-phenylbutan-2-yl)boranuide.
What is the SMILES notation for triethyl(2-phenylbutan-2-yl)boranuide?
The canonical SMILES for triethyl(2-phenylbutan-2-yl)boranuide is CC[B-](CC)(CC)C(C)(CC)c1ccccc1.
What is the InChIKey of triethyl(2-phenylbutan-2-yl)boranuide?
The InChIKey is ULXOKOZAUSQRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28B/c1-6-16(5,15-13-11-10-12-14-15)17(7-2,8-3)9-4/h10-14H,6-9H2,1-5H3/q-1.
What are the key properties of triethyl(2-phenylbutan-2-yl)boranuide?
triethyl(2-phenylbutan-2-yl)boranuide has a molecular weight of 231.21 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-phenylbutan-2-yl)boranuide is sourced from PubChem (CID 135048393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).