6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride

C22H34Cl2OTi — CID 87882012

IUPAC6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride
SMILESCC1=C(C)C(C)(C)C(C2(C(C)C)C=CC=C(C(C)C)C2O)=C1C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C22H34O.2ClH.Ti/c1-13(2)18-11-10-12-22(14(3)4,20(18)23)19-16(6)15(5)17(7)21(19,8)9;;;/h10-14,20,23H,1-9H3;2*1H;/q;;;+2/p-2
InChIKeyMKFBZRQGAFDWPP-UHFFFAOYSA-L
MW433.29 g/mol
LogP-0.16
Rot. Bonds3

About 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride

6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride (PubChem CID 87882012) has the molecular formula C22H34Cl2OTi and a molecular weight of 433.29 g/mol. Its IUPAC name is 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride.

Molecular Properties

Compound Name6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride
PubChem CID87882012
Molecular FormulaC22H34Cl2OTi
Molecular Weight433.29 g/mol
Exact Mass432.15
IUPAC Name6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride
SMILESCC1=C(C)C(C)(C)C(C2(C(C)C)C=CC=C(C(C)C)C2O)=C1C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C22H34O.2ClH.Ti/c1-13(2)18-11-10-12-22(14(3)4,20(18)23)19-16(6)15(5)17(7)21(19,8)9;;;/h10-14,20,23H,1-9H3;2*1H;/q;;;+2/p-2
InChIKeyMKFBZRQGAFDWPP-UHFFFAOYSA-L
XLogP-0.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride?
The IUPAC name of 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride (CID 87882012) is 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride.
What is the SMILES notation for 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride?
The canonical SMILES for 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride is CC1=C(C)C(C)(C)C(C2(C(C)C)C=CC=C(C(C)C)C2O)=C1C.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride?
The InChIKey is MKFBZRQGAFDWPP-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H34O.2ClH.Ti/c1-13(2)18-11-10-12-22(14(3)4,20(18)23)19-16(6)15(5)17(7)21(19,8)9;;;/h10-14,20,23H,1-9H3;2*1H;/q;;;+2/p-2.
What are the key properties of 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride?
6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride has a molecular weight of 433.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride is sourced from PubChem (CID 87882012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).