boric acid;tris(butan-1-ol)

C12H33BO6 — CID 172752185

IUPACboric acid;tris(butan-1-ol)
SMILESCCCCO.CCCCO.CCCCO.OB(O)O
InChIInChI=1S/3C4H10O.BH3O3/c3*1-2-3-4-5;2-1(3)4/h3*5H,2-4H2,1H3;2-4H
InChIKeyKNFKIYVQPVDSKE-UHFFFAOYSA-N
MW284.20 g/mol
LogP0.28
Rot. Bonds6

About boric acid;tris(butan-1-ol)

boric acid;tris(butan-1-ol) (PubChem CID 172752185) has the molecular formula C12H33BO6 and a molecular weight of 284.20 g/mol. Its IUPAC name is boric acid;tris(butan-1-ol).

Molecular Properties

Compound Nameboric acid;tris(butan-1-ol)
PubChem CID172752185
Molecular FormulaC12H33BO6
Molecular Weight284.20 g/mol
Exact Mass284.24
IUPAC Nameboric acid;tris(butan-1-ol)
SMILESCCCCO.CCCCO.CCCCO.OB(O)O
InChIInChI=1S/3C4H10O.BH3O3/c3*1-2-3-4-5;2-1(3)4/h3*5H,2-4H2,1H3;2-4H
InChIKeyKNFKIYVQPVDSKE-UHFFFAOYSA-N
XLogP0.28
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.20
LogP ≤ 50.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
CID 131878919
CID 131878919
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635

Frequently Asked Questions

What is the IUPAC name of boric acid;tris(butan-1-ol)?
The IUPAC name of boric acid;tris(butan-1-ol) (CID 172752185) is boric acid;tris(butan-1-ol).
What is the SMILES notation for boric acid;tris(butan-1-ol)?
The canonical SMILES for boric acid;tris(butan-1-ol) is CCCCO.CCCCO.CCCCO.OB(O)O.
What is the InChIKey of boric acid;tris(butan-1-ol)?
The InChIKey is KNFKIYVQPVDSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O.BH3O3/c3*1-2-3-4-5;2-1(3)4/h3*5H,2-4H2,1H3;2-4H.
What are the key properties of boric acid;tris(butan-1-ol)?
boric acid;tris(butan-1-ol) has a molecular weight of 284.20 g/mol, XLogP of 0.28, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tris(butan-1-ol) is sourced from PubChem (CID 172752185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).