3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride

C19H26Cl2Ti — CID 87713959

IUPAC3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride
SMILESCCC1=[C-]CC(C(C)(C)C2=C(C)C(CC)=[C-]C2)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C19H26.2ClH.Ti/c1-7-15-9-11-17(13(15)3)19(5,6)18-12-10-16(8-2)14(18)4;;;/h7-8,11-12H2,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyPGRHPFJXCAHCBN-UHFFFAOYSA-L
MW373.19 g/mol
LogP-0.26
Rot. Bonds4

About 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride

3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride (PubChem CID 87713959) has the molecular formula C19H26Cl2Ti and a molecular weight of 373.19 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride
PubChem CID87713959
Molecular FormulaC19H26Cl2Ti
Molecular Weight373.19 g/mol
Exact Mass372.09
IUPAC Name3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride
SMILESCCC1=[C-]CC(C(C)(C)C2=C(C)C(CC)=[C-]C2)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C19H26.2ClH.Ti/c1-7-15-9-11-17(13(15)3)19(5,6)18-12-10-16(8-2)14(18)4;;;/h7-8,11-12H2,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyPGRHPFJXCAHCBN-UHFFFAOYSA-L
XLogP-0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride?
The IUPAC name of 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride (CID 87713959) is 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride.
What is the SMILES notation for 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride?
The canonical SMILES for 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride is CCC1=[C-]CC(C(C)(C)C2=C(C)C(CC)=[C-]C2)=C1C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride?
The InChIKey is PGRHPFJXCAHCBN-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H26.2ClH.Ti/c1-7-15-9-11-17(13(15)3)19(5,6)18-12-10-16(8-2)14(18)4;;;/h7-8,11-12H2,1-6H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride?
3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride has a molecular weight of 373.19 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium(4+);dichloride is sourced from PubChem (CID 87713959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).