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

C21H30Cl2Ti — CID 87163310

IUPAC1-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
SMILESCC1=C(C)C(C)(C(C)(C)C2(C)C(C)=C(C)C(C)=C2Cl)C(Cl)=C1C.[Ti]
InChIInChI=1S/C21H30Cl2.Ti/c1-11-13(3)17(22)20(9,15(11)5)19(7,8)21(10)16(6)12(2)14(4)18(21)23;/h1-10H3;
InChIKeyAJJNHFLSAMKGSS-UHFFFAOYSA-N
MW401.24 g/mol
LogP7.75
Rot. Bonds2

About 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

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 (PubChem CID 87163310) has the molecular formula C21H30Cl2Ti and a molecular weight of 401.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID87163310
Molecular FormulaC21H30Cl2Ti
Molecular Weight401.24 g/mol
Exact Mass400.12
IUPAC Name1-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
SMILESCC1=C(C)C(C)(C(C)(C)C2(C)C(C)=C(C)C(C)=C2Cl)C(Cl)=C1C.[Ti]
InChIInChI=1S/C21H30Cl2.Ti/c1-11-13(3)17(22)20(9,15(11)5)19(7,8)21(10)16(6)12(2)14(4)18(21)23;/h1-10H3;
InChIKeyAJJNHFLSAMKGSS-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.24
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(C)C(C)(C(C)(C)C2(C)C(C)=C(C)C(C)=C2Cl)C(Cl)=C1C.[Ti].
What is the InChIKey of 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?
The InChIKey is AJJNHFLSAMKGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Cl2.Ti/c1-11-13(3)17(22)20(9,15(11)5)19(7,8)21(10)16(6)12(2)14(4)18(21)23;/h1-10H3;.
What are the key properties of 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?
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 has a molecular weight of 401.24 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87163310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).