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

C19H26Cl2Ti — CID 87713957

IUPAC1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=C(Cl)CC(C(C)(C)C2=C(C)C(CC)=C(Cl)C2)=C1C.[Ti]
InChIInChI=1S/C19H26Cl2.Ti/c1-7-13-11(3)15(9-17(13)20)19(5,6)16-10-18(21)14(8-2)12(16)4;/h7-10H2,1-6H3;
InChIKeyJNLSJGFRNGURNR-UHFFFAOYSA-N
MW373.19 g/mol
LogP7.26
Rot. Bonds4

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

1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium (PubChem CID 87713957) has the molecular formula C19H26Cl2Ti and a molecular weight of 373.19 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium
PubChem CID87713957
Molecular FormulaC19H26Cl2Ti
Molecular Weight373.19 g/mol
Exact Mass372.09
IUPAC Name1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=C(Cl)CC(C(C)(C)C2=C(C)C(CC)=C(Cl)C2)=C1C.[Ti]
InChIInChI=1S/C19H26Cl2.Ti/c1-7-13-11(3)15(9-17(13)20)19(5,6)16-10-18(21)14(8-2)12(16)4;/h7-10H2,1-6H3;
InChIKeyJNLSJGFRNGURNR-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.19
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium with MolForge

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Related Compounds

5-Chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 140968333
1-Chloro-3-[2-(4-chloro-3,5-dimethylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2,5-dimethylcyclopenta-1,3-diene;titanium
CID 87146219
1-Chloro-4-[2-(4-chloro-2,3-dimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3-dimethylcyclopenta-1,3-diene;titanium
CID 87147571
1-Chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)propan-2-yl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium
CID 87163310
1-Chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium
CID 87319493
1-Chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)propan-2-yl]-2,3,4-trimethylcyclopenta-1,3-diene;titanium
CID 87320180
1-Chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium
CID 87581509
1-Chloro-2-[2-(2-chloro-4,5-dimethylcyclopenta-1,4-dien-1-yl)ethyl]-3,4-dimethylcyclopenta-1,3-diene;titanium
CID 87608496
1-[Chloro-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 87667896
1-Chloro-2-[2-(2-chloro-4,5-dimethylcyclopenta-1,4-dien-1-yl)propan-2-yl]-3,4-dimethylcyclopenta-1,3-diene;titanium
CID 87713479
3-[2-(4,5-Dimethylcyclopenta-1,4-dien-1-yl)propan-2-yl]-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87713481
1-Chloro-3-[2-(4-chloro-5-ethyl-3-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-5-methylcyclopenta-1,3-diene;titanium
CID 87713780

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium (CID 87713957) is 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium is CCC1=C(Cl)CC(C(C)(C)C2=C(C)C(CC)=C(Cl)C2)=C1C.[Ti].
What is the InChIKey of 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium?
The InChIKey is JNLSJGFRNGURNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2.Ti/c1-7-13-11(3)15(9-17(13)20)19(5,6)16-10-18(21)14(8-2)12(16)4;/h7-10H2,1-6H3;.
What are the key properties of 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium?
1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium has a molecular weight of 373.19 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-ethyl-3-methylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 87713957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).