Dibutoxyboranyl

C8H18BO2 — CID 22714866

IUPAC—
SMILESCCCCO[B]OCCCC
InChIInChI=1S/C8H18BO2/c1-3-5-7-10-9-11-8-6-4-2/h3-8H2,1-2H3
InChIKeyTYCYWHDNGYLDPF-UHFFFAOYSA-N
MW157.04 g/mol
LogP2.15
Rot. Bonds8

About Dibutoxyboranyl

Dibutoxyboranyl (PubChem CID 22714866) has the molecular formula C8H18BO2 and a molecular weight of 157.04 g/mol.

Molecular Properties

Compound NameDibutoxyboranyl
PubChem CID22714866
Molecular FormulaC8H18BO2
Molecular Weight157.04 g/mol
Exact Mass157.14
IUPAC Name—
SMILESCCCCO[B]OCCCC
InChIInChI=1S/C8H18BO2/c1-3-5-7-10-9-11-8-6-4-2/h3-8H2,1-2H3
InChIKeyTYCYWHDNGYLDPF-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.04
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 Dibutoxyboranyl?
The IUPAC name of Dibutoxyboranyl (CID 22714866) is not available.
What is the SMILES notation for Dibutoxyboranyl?
The canonical SMILES for Dibutoxyboranyl is CCCCO[B]OCCCC.
What is the InChIKey of Dibutoxyboranyl?
The InChIKey is TYCYWHDNGYLDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BO2/c1-3-5-7-10-9-11-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of Dibutoxyboranyl?
Dibutoxyboranyl has a molecular weight of 157.04 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Dibutoxyboranyl is sourced from PubChem (CID 22714866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).