tris(butan-1-ol);titanium;bromide

C12H30BrO3Ti- — CID 20523364

IUPACtris(butan-1-ol);titanium;bromide
SMILESCCCCO.CCCCO.CCCCO.[Br-].[Ti]
InChIInChI=1S/3C4H10O.BrH.Ti/c3*1-2-3-4-5;;/h3*5H,2-4H2,1H3;1H;/p-1
InChIKeyNERHLOAJXDHEBR-UHFFFAOYSA-M
MW350.14 g/mol
LogP-0.66
Rot. Bonds6

About tris(butan-1-ol);titanium;bromide

tris(butan-1-ol);titanium;bromide (PubChem CID 20523364) has the molecular formula C12H30BrO3Ti- and a molecular weight of 350.14 g/mol. Its IUPAC name is tris(butan-1-ol);titanium;bromide.

Molecular Properties

Compound Nametris(butan-1-ol);titanium;bromide
PubChem CID20523364
Molecular FormulaC12H30BrO3Ti-
Molecular Weight350.14 g/mol
Exact Mass349.09
IUPAC Nametris(butan-1-ol);titanium;bromide
SMILESCCCCO.CCCCO.CCCCO.[Br-].[Ti]
InChIInChI=1S/3C4H10O.BrH.Ti/c3*1-2-3-4-5;;/h3*5H,2-4H2,1H3;1H;/p-1
InChIKeyNERHLOAJXDHEBR-UHFFFAOYSA-M
XLogP-0.66
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-ol);titanium;bromide?
The IUPAC name of tris(butan-1-ol);titanium;bromide (CID 20523364) is tris(butan-1-ol);titanium;bromide.
What is the SMILES notation for tris(butan-1-ol);titanium;bromide?
The canonical SMILES for tris(butan-1-ol);titanium;bromide is CCCCO.CCCCO.CCCCO.[Br-].[Ti].
What is the InChIKey of tris(butan-1-ol);titanium;bromide?
The InChIKey is NERHLOAJXDHEBR-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H10O.BrH.Ti/c3*1-2-3-4-5;;/h3*5H,2-4H2,1H3;1H;/p-1.
What are the key properties of tris(butan-1-ol);titanium;bromide?
tris(butan-1-ol);titanium;bromide has a molecular weight of 350.14 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-ol);titanium;bromide is sourced from PubChem (CID 20523364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).