dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol

C14H26Cl2O2STi — CID 59909204

IUPACdichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(SC2CC(C)CCC2O)C1.Cl[Ti]Cl
InChIInChI=1S/C14H26O2S.2ClH.Ti/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16;;;/h9-16H,3-8H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZSSHKPACXWVEOK-UHFFFAOYSA-L
MW377.20 g/mol
LogP4.20
Rot. Bonds2

About dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol

dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol (PubChem CID 59909204) has the molecular formula C14H26Cl2O2STi and a molecular weight of 377.20 g/mol. Its IUPAC name is dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Namedichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol
PubChem CID59909204
Molecular FormulaC14H26Cl2O2STi
Molecular Weight377.20 g/mol
Exact Mass376.05
IUPAC Namedichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(SC2CC(C)CCC2O)C1.Cl[Ti]Cl
InChIInChI=1S/C14H26O2S.2ClH.Ti/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16;;;/h9-16H,3-8H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZSSHKPACXWVEOK-UHFFFAOYSA-L
XLogP4.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol?
The IUPAC name of dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol (CID 59909204) is dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol.
What is the SMILES notation for dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol?
The canonical SMILES for dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol is CC1CCC(O)C(SC2CC(C)CCC2O)C1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol?
The InChIKey is ZSSHKPACXWVEOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H26O2S.2ClH.Ti/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16;;;/h9-16H,3-8H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol?
dichlorotitanium;2-(2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol has a molecular weight of 377.20 g/mol, XLogP of 4.20, 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-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol is sourced from PubChem (CID 59909204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).