methyl(dipropyl)borane

C7H17B — CID 534926

IUPACmethyl(dipropyl)borane
SMILESCCCB(C)CCC
InChIInChI=1S/C7H17B/c1-4-6-8(3)7-5-2/h4-7H2,1-3H3
InChIKeyVOQAIQTVOXOMLP-UHFFFAOYSA-N
MW112.02 g/mol
LogP2.93
Rot. Bonds4

About methyl(dipropyl)borane

methyl(dipropyl)borane (PubChem CID 534926) has the molecular formula C7H17B and a molecular weight of 112.02 g/mol. Its IUPAC name is methyl(dipropyl)borane.

Molecular Properties

Compound Namemethyl(dipropyl)borane
PubChem CID534926
Molecular FormulaC7H17B
Molecular Weight112.02 g/mol
Exact Mass112.14
IUPAC Namemethyl(dipropyl)borane
SMILESCCCB(C)CCC
InChIInChI=1S/C7H17B/c1-4-6-8(3)7-5-2/h4-7H2,1-3H3
InChIKeyVOQAIQTVOXOMLP-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.02
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(dipropyl)borane?
The IUPAC name of methyl(dipropyl)borane (CID 534926) is methyl(dipropyl)borane.
What is the SMILES notation for methyl(dipropyl)borane?
The canonical SMILES for methyl(dipropyl)borane is CCCB(C)CCC.
What is the InChIKey of methyl(dipropyl)borane?
The InChIKey is VOQAIQTVOXOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17B/c1-4-6-8(3)7-5-2/h4-7H2,1-3H3.
What are the key properties of methyl(dipropyl)borane?
methyl(dipropyl)borane has a molecular weight of 112.02 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(dipropyl)borane is sourced from PubChem (CID 534926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).