tetrakis(5-ethyl-2-methyloctyl)boranuide

C44H92B- — CID 22637381

IUPACtetrakis(5-ethyl-2-methyloctyl)boranuide
SMILESCCCC(CC)CCC(C)C[B-](CC(C)CCC(CC)CCC)(CC(C)CCC(CC)CCC)CC(C)CCC(CC)CCC
InChIInChI=1S/C44H92B/c1-13-21-41(17-5)29-25-37(9)33-45(34-38(10)26-30-42(18-6)22-14-2,35-39(11)27-31-43(19-7)23-15-3)36-40(12)28-32-44(20-8)24-16-4/h37-44H,13-36H2,1-12H3/q-1
InChIKeyPANCYNILDXAOCH-UHFFFAOYSA-N
MW632.03 g/mol
LogP16.41
Rot. Bonds32

About tetrakis(5-ethyl-2-methyloctyl)boranuide

tetrakis(5-ethyl-2-methyloctyl)boranuide (PubChem CID 22637381) has the molecular formula C44H92B- and a molecular weight of 632.03 g/mol. Its IUPAC name is tetrakis(5-ethyl-2-methyloctyl)boranuide.

Molecular Properties

Compound Nametetrakis(5-ethyl-2-methyloctyl)boranuide
PubChem CID22637381
Molecular FormulaC44H92B-
Molecular Weight632.03 g/mol
Exact Mass631.73
IUPAC Nametetrakis(5-ethyl-2-methyloctyl)boranuide
SMILESCCCC(CC)CCC(C)C[B-](CC(C)CCC(CC)CCC)(CC(C)CCC(CC)CCC)CC(C)CCC(CC)CCC
InChIInChI=1S/C44H92B/c1-13-21-41(17-5)29-25-37(9)33-45(34-38(10)26-30-42(18-6)22-14-2,35-39(11)27-31-43(19-7)23-15-3)36-40(12)28-32-44(20-8)24-16-4/h37-44H,13-36H2,1-12H3/q-1
InChIKeyPANCYNILDXAOCH-UHFFFAOYSA-N
XLogP16.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.03
LogP ≤ 516.41
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

6-ethyl-3-methylnonane;methane
CID 142358245
4-ethylheptane;methane
CID 143165373
5-ethyloctan-2-ol
CID 20725141
CID 160839086
CID 160839086
(2,4-difluorophenyl)-hexyl-nonylazanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637379
(2,5-difluorophenyl)-(3-ethylheptyl)-propylphosphanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637796
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
4-ethylheptane;3-methylheptane
CID 143099611
4,8-diethyl-5-methylundecane
CID 59928875
11-ethyl-3-methyltetradecane
CID 123200411
[(2R,5R)-5-ethyl-2-methyloctyl]benzene
CID 3085733
(3S,10S,13S)-13-ethyl-3,10-dimethylhexadecan-3-ol
CID 155226811

Frequently Asked Questions

What is the IUPAC name of tetrakis(5-ethyl-2-methyloctyl)boranuide?
The IUPAC name of tetrakis(5-ethyl-2-methyloctyl)boranuide (CID 22637381) is tetrakis(5-ethyl-2-methyloctyl)boranuide.
What is the SMILES notation for tetrakis(5-ethyl-2-methyloctyl)boranuide?
The canonical SMILES for tetrakis(5-ethyl-2-methyloctyl)boranuide is CCCC(CC)CCC(C)C[B-](CC(C)CCC(CC)CCC)(CC(C)CCC(CC)CCC)CC(C)CCC(CC)CCC.
What is the InChIKey of tetrakis(5-ethyl-2-methyloctyl)boranuide?
The InChIKey is PANCYNILDXAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H92B/c1-13-21-41(17-5)29-25-37(9)33-45(34-38(10)26-30-42(18-6)22-14-2,35-39(11)27-31-43(19-7)23-15-3)36-40(12)28-32-44(20-8)24-16-4/h37-44H,13-36H2,1-12H3/q-1.
What are the key properties of tetrakis(5-ethyl-2-methyloctyl)boranuide?
tetrakis(5-ethyl-2-methyloctyl)boranuide has a molecular weight of 632.03 g/mol, XLogP of 16.41, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(5-ethyl-2-methyloctyl)boranuide is sourced from PubChem (CID 22637381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).