dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)

C20H28Cl2O2Ti — CID 18688279

IUPACdichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)
SMILESCC(C)(CO)c1ccccc1.CC(C)(CO)c1ccccc1.Cl[Ti]Cl
InChIInChI=1S/2C10H14O.2ClH.Ti/c2*1-10(2,8-11)9-6-4-3-5-7-9;;;/h2*3-7,11H,8H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyGPYLWLCGCKEVCJ-UHFFFAOYSA-L
MW419.22 g/mol
LogP5.29
Rot. Bonds4

About dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)

dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol) (PubChem CID 18688279) has the molecular formula C20H28Cl2O2Ti and a molecular weight of 419.22 g/mol. Its IUPAC name is dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol).

Molecular Properties

Compound Namedichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)
PubChem CID18688279
Molecular FormulaC20H28Cl2O2Ti
Molecular Weight419.22 g/mol
Exact Mass418.09
IUPAC Namedichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)
SMILESCC(C)(CO)c1ccccc1.CC(C)(CO)c1ccccc1.Cl[Ti]Cl
InChIInChI=1S/2C10H14O.2ClH.Ti/c2*1-10(2,8-11)9-6-4-3-5-7-9;;;/h2*3-7,11H,8H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyGPYLWLCGCKEVCJ-UHFFFAOYSA-L
XLogP5.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.22
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-2-phenylpropan-1-ol
CID 21408065
2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117111875
2-[4-[2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-yl]phenyl]-2-methylpropan-1-ol
CID 14440449
Trineophyltin hydride
CID 6327208
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
2-methyl-2-phenylpent-3-yn-1-ol
CID 100928293
CID 158792811
CID 158792811
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
3,3-bis[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]butanoic acid
CID 139605185
tert-butylbenzene;chloromethane;ethane
CID 91149652

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)?
The IUPAC name of dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol) (CID 18688279) is dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol).
What is the SMILES notation for dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)?
The canonical SMILES for dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol) is CC(C)(CO)c1ccccc1.CC(C)(CO)c1ccccc1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)?
The InChIKey is GPYLWLCGCKEVCJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H14O.2ClH.Ti/c2*1-10(2,8-11)9-6-4-3-5-7-9;;;/h2*3-7,11H,8H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)?
dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol) has a molecular weight of 419.22 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol) is sourced from PubChem (CID 18688279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).