dihexyl(methoxy)borane

C13H29BO — CID 642708

IUPACdihexyl(methoxy)borane
SMILESCCCCCCB(CCCCCC)OC
InChIInChI=1S/C13H29BO/c1-4-6-8-10-12-14(15-3)13-11-9-7-5-2/h4-13H2,1-3H3
InChIKeyOHTWSEVRQHSYQI-UHFFFAOYSA-N
MW212.19 g/mol
LogP4.78
Rot. Bonds11

About dihexyl(methoxy)borane

dihexyl(methoxy)borane (PubChem CID 642708) has the molecular formula C13H29BO and a molecular weight of 212.19 g/mol. Its IUPAC name is dihexyl(methoxy)borane.

Molecular Properties

Compound Namedihexyl(methoxy)borane
PubChem CID642708
Molecular FormulaC13H29BO
Molecular Weight212.19 g/mol
Exact Mass212.23
IUPAC Namedihexyl(methoxy)borane
SMILESCCCCCCB(CCCCCC)OC
InChIInChI=1S/C13H29BO/c1-4-6-8-10-12-14(15-3)13-11-9-7-5-2/h4-13H2,1-3H3
InChIKeyOHTWSEVRQHSYQI-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 dihexyl(methoxy)borane?
The IUPAC name of dihexyl(methoxy)borane (CID 642708) is dihexyl(methoxy)borane.
What is the SMILES notation for dihexyl(methoxy)borane?
The canonical SMILES for dihexyl(methoxy)borane is CCCCCCB(CCCCCC)OC.
What is the InChIKey of dihexyl(methoxy)borane?
The InChIKey is OHTWSEVRQHSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BO/c1-4-6-8-10-12-14(15-3)13-11-9-7-5-2/h4-13H2,1-3H3.
What are the key properties of dihexyl(methoxy)borane?
dihexyl(methoxy)borane has a molecular weight of 212.19 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(methoxy)borane is sourced from PubChem (CID 642708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).