tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol

C21H36Cl2OTi — CID 23232287

IUPACtert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol
SMILESCC(C)(C)C1CCCC1.CC(C)c1cccc(C(C)C)c1O.Cl[Ti]Cl
InChIInChI=1S/C12H18O.C9H18.2ClH.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-9(2,3)8-6-4-5-7-8;;;/h5-9,13H,1-4H3;8H,4-7H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyGDVDKDVEAKLUGQ-UHFFFAOYSA-L
MW423.29 g/mol
LogP8.24
Rot. Bonds2

About tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol

tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol (PubChem CID 23232287) has the molecular formula C21H36Cl2OTi and a molecular weight of 423.29 g/mol. Its IUPAC name is tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Nametert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol
PubChem CID23232287
Molecular FormulaC21H36Cl2OTi
Molecular Weight423.29 g/mol
Exact Mass422.16
IUPAC Nametert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol
SMILESCC(C)(C)C1CCCC1.CC(C)c1cccc(C(C)C)c1O.Cl[Ti]Cl
InChIInChI=1S/C12H18O.C9H18.2ClH.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-9(2,3)8-6-4-5-7-8;;;/h5-9,13H,1-4H3;8H,4-7H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyGDVDKDVEAKLUGQ-UHFFFAOYSA-L
XLogP8.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.29
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-di(propan-2-yl)phenol;silver
CID 174803720
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
2-cyclohexyl-6-propan-2-ylphenol
CID 3058302
2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
CID 144742888
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
CID 6389258
CID 6389258
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol
CID 23325923
2-bromo-6-propan-2-ylphenol
CID 14663965
dichlorotitanium;2,6-di(propan-2-yl)phenol;1H-inden-1-ide
CID 140556294

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol?
The IUPAC name of tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol (CID 23232287) is tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol.
What is the SMILES notation for tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol?
The canonical SMILES for tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol is CC(C)(C)C1CCCC1.CC(C)c1cccc(C(C)C)c1O.Cl[Ti]Cl.
What is the InChIKey of tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol?
The InChIKey is GDVDKDVEAKLUGQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H18O.C9H18.2ClH.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-9(2,3)8-6-4-5-7-8;;;/h5-9,13H,1-4H3;8H,4-7H2,1-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol?
tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol has a molecular weight of 423.29 g/mol, XLogP of 8.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopentane;dichlorotitanium;2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 23232287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).