decyl-bis(3-methylbutan-2-yl)borane

C20H43B — CID 12567887

IUPACdecyl-bis(3-methylbutan-2-yl)borane
SMILESCCCCCCCCCCB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C20H43B/c1-8-9-10-11-12-13-14-15-16-21(19(6)17(2)3)20(7)18(4)5/h17-20H,8-16H2,1-7H3
InChIKeyOQWHZGYPNIFEGD-UHFFFAOYSA-N
MW294.38 g/mol
LogP7.71
Rot. Bonds13

About decyl-bis(3-methylbutan-2-yl)borane

decyl-bis(3-methylbutan-2-yl)borane (PubChem CID 12567887) has the molecular formula C20H43B and a molecular weight of 294.38 g/mol. Its IUPAC name is decyl-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Namedecyl-bis(3-methylbutan-2-yl)borane
PubChem CID12567887
Molecular FormulaC20H43B
Molecular Weight294.38 g/mol
Exact Mass294.35
IUPAC Namedecyl-bis(3-methylbutan-2-yl)borane
SMILESCCCCCCCCCCB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C20H43B/c1-8-9-10-11-12-13-14-15-16-21(19(6)17(2)3)20(7)18(4)5/h17-20H,8-16H2,1-7H3
InChIKeyOQWHZGYPNIFEGD-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptane;platinum
CID 160745252
tri(nonyl)borane
CID 12793706
ethane;heptane;2-methylpropane
CID 167499531
heptyl(dimethyl)borane
CID 123843147
hexyl-di(propan-2-yloxy)borane
CID 13183257
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of decyl-bis(3-methylbutan-2-yl)borane?
The IUPAC name of decyl-bis(3-methylbutan-2-yl)borane (CID 12567887) is decyl-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for decyl-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for decyl-bis(3-methylbutan-2-yl)borane is CCCCCCCCCCB(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of decyl-bis(3-methylbutan-2-yl)borane?
The InChIKey is OQWHZGYPNIFEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43B/c1-8-9-10-11-12-13-14-15-16-21(19(6)17(2)3)20(7)18(4)5/h17-20H,8-16H2,1-7H3.
What are the key properties of decyl-bis(3-methylbutan-2-yl)borane?
decyl-bis(3-methylbutan-2-yl)borane has a molecular weight of 294.38 g/mol, XLogP of 7.71, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 12567887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).