heptyl(dimethyl)borane

C9H21B — CID 123843147

IUPACheptyl(dimethyl)borane
SMILESCCCCCCCB(C)C
InChIInChI=1S/C9H21B/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3
InChIKeyHPQGEPFDQOYPDI-UHFFFAOYSA-N
MW140.08 g/mol
LogP3.71
Rot. Bonds6

About heptyl(dimethyl)borane

heptyl(dimethyl)borane (PubChem CID 123843147) has the molecular formula C9H21B and a molecular weight of 140.08 g/mol. Its IUPAC name is heptyl(dimethyl)borane.

Molecular Properties

Compound Nameheptyl(dimethyl)borane
PubChem CID123843147
Molecular FormulaC9H21B
Molecular Weight140.08 g/mol
Exact Mass140.17
IUPAC Nameheptyl(dimethyl)borane
SMILESCCCCCCCB(C)C
InChIInChI=1S/C9H21B/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3
InChIKeyHPQGEPFDQOYPDI-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 53.71
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

tri(nonyl)borane
CID 12793706
acetylene;heptane;hexane
CID 173326274
triacontane
CID 12535
dictane
CID 19848341
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
henoctacontane
CID 22086342
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of heptyl(dimethyl)borane?
The IUPAC name of heptyl(dimethyl)borane (CID 123843147) is heptyl(dimethyl)borane.
What is the SMILES notation for heptyl(dimethyl)borane?
The canonical SMILES for heptyl(dimethyl)borane is CCCCCCCB(C)C.
What is the InChIKey of heptyl(dimethyl)borane?
The InChIKey is HPQGEPFDQOYPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21B/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3.
What are the key properties of heptyl(dimethyl)borane?
heptyl(dimethyl)borane has a molecular weight of 140.08 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl(dimethyl)borane is sourced from PubChem (CID 123843147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).