tris(butan-1-ol);2-methylpropan-2-ol;titanium

C16H40O4Ti — CID 87900186

IUPACtris(butan-1-ol);2-methylpropan-2-ol;titanium
SMILESCC(C)(C)O.CCCCO.CCCCO.CCCCO.[Ti]
InChIInChI=1S/4C4H10O.Ti/c1-4(2,3)5;3*1-2-3-4-5;/h5H,1-3H3;3*5H,2-4H2,1H3;
InChIKeyMSKBYPQKADABKT-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.11
Rot. Bonds6

About tris(butan-1-ol);2-methylpropan-2-ol;titanium

tris(butan-1-ol);2-methylpropan-2-ol;titanium (PubChem CID 87900186) has the molecular formula C16H40O4Ti and a molecular weight of 344.36 g/mol. Its IUPAC name is tris(butan-1-ol);2-methylpropan-2-ol;titanium.

Molecular Properties

Compound Nametris(butan-1-ol);2-methylpropan-2-ol;titanium
PubChem CID87900186
Molecular FormulaC16H40O4Ti
Molecular Weight344.36 g/mol
Exact Mass344.24
IUPAC Nametris(butan-1-ol);2-methylpropan-2-ol;titanium
SMILESCC(C)(C)O.CCCCO.CCCCO.CCCCO.[Ti]
InChIInChI=1S/4C4H10O.Ti/c1-4(2,3)5;3*1-2-3-4-5;/h5H,1-3H3;3*5H,2-4H2,1H3;
InChIKeyMSKBYPQKADABKT-UHFFFAOYSA-N
XLogP3.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-ol);2-methylpropan-2-ol;titanium?
The IUPAC name of tris(butan-1-ol);2-methylpropan-2-ol;titanium (CID 87900186) is tris(butan-1-ol);2-methylpropan-2-ol;titanium.
What is the SMILES notation for tris(butan-1-ol);2-methylpropan-2-ol;titanium?
The canonical SMILES for tris(butan-1-ol);2-methylpropan-2-ol;titanium is CC(C)(C)O.CCCCO.CCCCO.CCCCO.[Ti].
What is the InChIKey of tris(butan-1-ol);2-methylpropan-2-ol;titanium?
The InChIKey is MSKBYPQKADABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H10O.Ti/c1-4(2,3)5;3*1-2-3-4-5;/h5H,1-3H3;3*5H,2-4H2,1H3;.
What are the key properties of tris(butan-1-ol);2-methylpropan-2-ol;titanium?
tris(butan-1-ol);2-methylpropan-2-ol;titanium has a molecular weight of 344.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-ol);2-methylpropan-2-ol;titanium is sourced from PubChem (CID 87900186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).