tetrakis(2,3-dimethylpentan-2-ol);titanium

C28H64O4Ti — CID 23347714

IUPACtetrakis(2,3-dimethylpentan-2-ol);titanium
SMILESCCC(C)C(C)(C)O.CCC(C)C(C)(C)O.CCC(C)C(C)(C)O.CCC(C)C(C)(C)O.[Ti]
InChIInChI=1S/4C7H16O.Ti/c4*1-5-6(2)7(3,4)8;/h4*6,8H,5H2,1-4H3;
InChIKeyCWTRFZJBTVFUDH-UHFFFAOYSA-N
MW512.68 g/mol
LogP7.21
Rot. Bonds8

About tetrakis(2,3-dimethylpentan-2-ol);titanium

tetrakis(2,3-dimethylpentan-2-ol);titanium (PubChem CID 23347714) has the molecular formula C28H64O4Ti and a molecular weight of 512.68 g/mol. Its IUPAC name is tetrakis(2,3-dimethylpentan-2-ol);titanium.

Molecular Properties

Compound Nametetrakis(2,3-dimethylpentan-2-ol);titanium
PubChem CID23347714
Molecular FormulaC28H64O4Ti
Molecular Weight512.68 g/mol
Exact Mass512.43
IUPAC Nametetrakis(2,3-dimethylpentan-2-ol);titanium
SMILESCCC(C)C(C)(C)O.CCC(C)C(C)(C)O.CCC(C)C(C)(C)O.CCC(C)C(C)(C)O.[Ti]
InChIInChI=1S/4C7H16O.Ti/c4*1-5-6(2)7(3,4)8;/h4*6,8H,5H2,1-4H3;
InChIKeyCWTRFZJBTVFUDH-UHFFFAOYSA-N
XLogP7.21
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.68
LogP ≤ 57.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3-dimethylpentan-2-ol);titanium?
The IUPAC name of tetrakis(2,3-dimethylpentan-2-ol);titanium (CID 23347714) is tetrakis(2,3-dimethylpentan-2-ol);titanium.
What is the SMILES notation for tetrakis(2,3-dimethylpentan-2-ol);titanium?
The canonical SMILES for tetrakis(2,3-dimethylpentan-2-ol);titanium is CCC(C)C(C)(C)O.CCC(C)C(C)(C)O.CCC(C)C(C)(C)O.CCC(C)C(C)(C)O.[Ti].
What is the InChIKey of tetrakis(2,3-dimethylpentan-2-ol);titanium?
The InChIKey is CWTRFZJBTVFUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H16O.Ti/c4*1-5-6(2)7(3,4)8;/h4*6,8H,5H2,1-4H3;.
What are the key properties of tetrakis(2,3-dimethylpentan-2-ol);titanium?
tetrakis(2,3-dimethylpentan-2-ol);titanium has a molecular weight of 512.68 g/mol, XLogP of 7.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,3-dimethylpentan-2-ol);titanium is sourced from PubChem (CID 23347714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).