dimethyl(propyl)borane;methane

C7H21B — CID 161304479

IUPACdimethyl(propyl)borane;methane
SMILESC.C.CCCB(C)C
InChIInChI=1S/C5H13B.2CH4/c1-4-5-6(2)3;;/h4-5H2,1-3H3;2*1H4
InChIKeyVIBGJKUGQKWXBA-UHFFFAOYSA-N
MW116.06 g/mol
LogP3.42
Rot. Bonds2

About dimethyl(propyl)borane;methane

dimethyl(propyl)borane;methane (PubChem CID 161304479) has the molecular formula C7H21B and a molecular weight of 116.06 g/mol. Its IUPAC name is dimethyl(propyl)borane;methane.

Molecular Properties

Compound Namedimethyl(propyl)borane;methane
PubChem CID161304479
Molecular FormulaC7H21B
Molecular Weight116.06 g/mol
Exact Mass116.17
IUPAC Namedimethyl(propyl)borane;methane
SMILESC.C.CCCB(C)C
InChIInChI=1S/C5H13B.2CH4/c1-4-5-6(2)3;;/h4-5H2,1-3H3;2*1H4
InChIKeyVIBGJKUGQKWXBA-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.06
LogP ≤ 53.42
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

carbanide;N,N-dimethylmethanamine;bis(dimethyl(propyl)borane);methane;methanidyl(dimethyl)borane;yttrium
CID 158481760
methyl(dipropyl)borane
CID 534926
heptyl(dimethyl)borane
CID 123843147
methyl-[methyl(propyl)boranyl]phosphane
CID 89355838
butane;methane
CID 161323740
butane;methane
CID 169432073
butane;methane
CID 158764755
butane;methane
CID 158881067
diethyl(propyl)borane
CID 535107
butane;ethane;methane
CID 162200509
3-dimethylboranylpropan-1-ol
CID 123154610
methane;propane
CID 162082112

Frequently Asked Questions

What is the IUPAC name of dimethyl(propyl)borane;methane?
The IUPAC name of dimethyl(propyl)borane;methane (CID 161304479) is dimethyl(propyl)borane;methane.
What is the SMILES notation for dimethyl(propyl)borane;methane?
The canonical SMILES for dimethyl(propyl)borane;methane is C.C.CCCB(C)C.
What is the InChIKey of dimethyl(propyl)borane;methane?
The InChIKey is VIBGJKUGQKWXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13B.2CH4/c1-4-5-6(2)3;;/h4-5H2,1-3H3;2*1H4.
What are the key properties of dimethyl(propyl)borane;methane?
dimethyl(propyl)borane;methane has a molecular weight of 116.06 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(propyl)borane;methane is sourced from PubChem (CID 161304479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).