Diisoamylborane

C10H22B — CID 11008130

IUPAC—
SMILESCC(C)CC[B]CCC(C)C
InChIInChI=1S/C10H22B/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyRZPSHRCROPCUCY-UHFFFAOYSA-N
MW153.10 g/mol
LogP3.62
Rot. Bonds6

About Diisoamylborane

Diisoamylborane (PubChem CID 11008130) has the molecular formula C10H22B and a molecular weight of 153.10 g/mol.

Molecular Properties

Compound NameDiisoamylborane
PubChem CID11008130
Molecular FormulaC10H22B
Molecular Weight153.10 g/mol
Exact Mass153.18
IUPAC Name—
SMILESCC(C)CC[B]CCC(C)C
InChIInChI=1S/C10H22B/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyRZPSHRCROPCUCY-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of Diisoamylborane?
The IUPAC name of Diisoamylborane (CID 11008130) is not available.
What is the SMILES notation for Diisoamylborane?
The canonical SMILES for Diisoamylborane is CC(C)CC[B]CCC(C)C.
What is the InChIKey of Diisoamylborane?
The InChIKey is RZPSHRCROPCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22B/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of Diisoamylborane?
Diisoamylborane has a molecular weight of 153.10 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Diisoamylborane is sourced from PubChem (CID 11008130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).