3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride

C11H18Cl2O2Ti — CID 174381252

IUPAC3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride
SMILESCOC(C)(C1C=CC=C1)C(C)(C)O.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C11H18O2.2ClH.Ti/c1-10(2,12)11(3,13-4)9-7-5-6-8-9;;;/h5-9,12H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyRGCFXHVAYBSUPG-UHFFFAOYSA-L
MW301.04 g/mol
LogP-4.09
Rot. Bonds3

About 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride

3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride (PubChem CID 174381252) has the molecular formula C11H18Cl2O2Ti and a molecular weight of 301.04 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride
PubChem CID174381252
Molecular FormulaC11H18Cl2O2Ti
Molecular Weight301.04 g/mol
Exact Mass300.02
IUPAC Name3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride
SMILESCOC(C)(C1C=CC=C1)C(C)(C)O.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C11H18O2.2ClH.Ti/c1-10(2,12)11(3,13-4)9-7-5-6-8-9;;;/h5-9,12H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyRGCFXHVAYBSUPG-UHFFFAOYSA-L
XLogP-4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.04
LogP ≤ 5-4.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride?
The IUPAC name of 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride (CID 174381252) is 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride is COC(C)(C1C=CC=C1)C(C)(C)O.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride?
The InChIKey is RGCFXHVAYBSUPG-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H18O2.2ClH.Ti/c1-10(2,12)11(3,13-4)9-7-5-6-8-9;;;/h5-9,12H,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride?
3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride has a molecular weight of 301.04 g/mol, XLogP of -4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-yl-3-methoxy-2-methylbutan-2-ol;titanium(2+);dichloride is sourced from PubChem (CID 174381252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).