1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium

C18H24Cl2Ti — CID 87981970

IUPAC1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium
SMILESCC1=C(Cl)C(C)C(CCC2=C(C)C(C)=C(Cl)C2C)=C1C.[Ti]
InChIInChI=1S/C18H24Cl2.Ti/c1-9-11(3)17(19)13(5)15(9)7-8-16-10(2)12(4)18(20)14(16)6;/h13-14H,7-8H2,1-6H3;
InChIKeyRIZHVKHBBNBKMI-UHFFFAOYSA-N
MW359.16 g/mol
LogP6.72
Rot. Bonds3

About 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium

1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium (PubChem CID 87981970) has the molecular formula C18H24Cl2Ti and a molecular weight of 359.16 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium
PubChem CID87981970
Molecular FormulaC18H24Cl2Ti
Molecular Weight359.16 g/mol
Exact Mass358.07
IUPAC Name1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium
SMILESCC1=C(Cl)C(C)C(CCC2=C(C)C(C)=C(Cl)C2C)=C1C.[Ti]
InChIInChI=1S/C18H24Cl2.Ti/c1-9-11(3)17(19)13(5)15(9)7-8-16-10(2)12(4)18(20)14(16)6;/h13-14H,7-8H2,1-6H3;
InChIKeyRIZHVKHBBNBKMI-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.16
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium 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 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium (CID 87981970) is 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium is CC1=C(Cl)C(C)C(CCC2=C(C)C(C)=C(Cl)C2C)=C1C.[Ti].
What is the InChIKey of 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium?
The InChIKey is RIZHVKHBBNBKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2.Ti/c1-9-11(3)17(19)13(5)15(9)7-8-16-10(2)12(4)18(20)14(16)6;/h13-14H,7-8H2,1-6H3;.
What are the key properties of 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium?
1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium has a molecular weight of 359.16 g/mol, XLogP of 6.72, 3 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-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 87981970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).