ethane;trimethyl(phenyl)boranuide

C13H26B- — CID 91180223

IUPACethane;trimethyl(phenyl)boranuide
SMILESCC.CC.C[B-](C)(C)c1ccccc1
InChIInChI=1S/C9H14B.2C2H6/c1-10(2,3)9-7-5-4-6-8-9;2*1-2/h4-8H,1-3H3;2*1-2H3/q-1;;
InChIKeyKTCZLDZHIZDKBL-UHFFFAOYSA-N
MW193.16 g/mol
LogP4.28
Rot. Bonds1

About ethane;trimethyl(phenyl)boranuide

ethane;trimethyl(phenyl)boranuide (PubChem CID 91180223) has the molecular formula C13H26B- and a molecular weight of 193.16 g/mol. Its IUPAC name is ethane;trimethyl(phenyl)boranuide.

Molecular Properties

Compound Nameethane;trimethyl(phenyl)boranuide
PubChem CID91180223
Molecular FormulaC13H26B-
Molecular Weight193.16 g/mol
Exact Mass193.21
IUPAC Nameethane;trimethyl(phenyl)boranuide
SMILESCC.CC.C[B-](C)(C)c1ccccc1
InChIInChI=1S/C9H14B.2C2H6/c1-10(2,3)9-7-5-4-6-8-9;2*1-2/h4-8H,1-3H3;2*1-2H3/q-1;;
InChIKeyKTCZLDZHIZDKBL-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 54.28
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

benzene;1,1'-biphenyl;ethane
CID 158550617
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
methanamine;tetraphenylboranuide
CID 175835863
dimethylphosphanium;tetraphenylboranuide
CID 174900648
1,1'-biphenyl;ethane;naphthalene
CID 160802649
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
calcium;tetraphenylboranuide;iodide
CID 23136649
ethane;1,3,5-triphenylbenzene
CID 142123051
CID 174934257
CID 174934257
methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium
CID 139655494

Frequently Asked Questions

What is the IUPAC name of ethane;trimethyl(phenyl)boranuide?
The IUPAC name of ethane;trimethyl(phenyl)boranuide (CID 91180223) is ethane;trimethyl(phenyl)boranuide.
What is the SMILES notation for ethane;trimethyl(phenyl)boranuide?
The canonical SMILES for ethane;trimethyl(phenyl)boranuide is CC.CC.C[B-](C)(C)c1ccccc1.
What is the InChIKey of ethane;trimethyl(phenyl)boranuide?
The InChIKey is KTCZLDZHIZDKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14B.2C2H6/c1-10(2,3)9-7-5-4-6-8-9;2*1-2/h4-8H,1-3H3;2*1-2H3/q-1;;.
What are the key properties of ethane;trimethyl(phenyl)boranuide?
ethane;trimethyl(phenyl)boranuide has a molecular weight of 193.16 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trimethyl(phenyl)boranuide is sourced from PubChem (CID 91180223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).