dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol

C16H30Cl2O2STi — CID 59909186

IUPACdichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(O)C(SC2CC(C)CC(C)C2O)C1.Cl[Ti]Cl
InChIInChI=1S/C16H30O2S.2ClH.Ti/c1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18;;;/h9-18H,5-8H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyUBWORRNNPGBCNY-UHFFFAOYSA-L
MW405.25 g/mol
LogP4.69
Rot. Bonds2

About dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol

dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol (PubChem CID 59909186) has the molecular formula C16H30Cl2O2STi and a molecular weight of 405.25 g/mol. Its IUPAC name is dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Namedichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
PubChem CID59909186
Molecular FormulaC16H30Cl2O2STi
Molecular Weight405.25 g/mol
Exact Mass404.08
IUPAC Namedichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(O)C(SC2CC(C)CC(C)C2O)C1.Cl[Ti]Cl
InChIInChI=1S/C16H30O2S.2ClH.Ti/c1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18;;;/h9-18H,5-8H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyUBWORRNNPGBCNY-UHFFFAOYSA-L
XLogP4.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
CID 59909187
Dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol
CID 59909204
4-Ethyl-2-(5-ethyl-2-hydroxy-3-methylcyclohexyl)sulfanyl-6-methylcyclohexan-1-ol
CID 140432272
2-(2-Hydroxy-5-methyl-3-propan-2-ylcyclohexyl)sulfanyl-4-methyl-6-propan-2-ylcyclohexan-1-ol
CID 140432274
7-Methyl-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115014090

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol?
The IUPAC name of dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol (CID 59909186) is dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol?
The canonical SMILES for dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol is CC1CC(C)C(O)C(SC2CC(C)CC(C)C2O)C1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol?
The InChIKey is UBWORRNNPGBCNY-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H30O2S.2ClH.Ti/c1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18;;;/h9-18H,5-8H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol?
dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol has a molecular weight of 405.25 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 59909186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).