1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)

C6H11ClTi — CID 174756791

IUPAC1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)
SMILESCC1=C(Cl)CC=C1.[H-].[H-].[H-].[H-].[Ti+4]
InChIInChI=1S/C6H7Cl.Ti.4H/c1-5-3-2-4-6(5)7;;;;;/h2-3H,4H2,1H3;;;;;/q;+4;4*-1
InChIKeyPFLOFFOASAEWSN-UHFFFAOYSA-N
MW166.47 g/mol
LogP2.91
Rot. Bonds

About 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)

1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+) (PubChem CID 174756791) has the molecular formula C6H11ClTi and a molecular weight of 166.47 g/mol. Its IUPAC name is 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+).

Molecular Properties

Compound Name1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)
PubChem CID174756791
Molecular FormulaC6H11ClTi
Molecular Weight166.47 g/mol
Exact Mass166.00
IUPAC Name1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)
SMILESCC1=C(Cl)CC=C1.[H-].[H-].[H-].[H-].[Ti+4]
InChIInChI=1S/C6H7Cl.Ti.4H/c1-5-3-2-4-6(5)7;;;;;/h2-3H,4H2,1H3;;;;;/q;+4;4*-1
InChIKeyPFLOFFOASAEWSN-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene
CID 123234884
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol
CID 19936951
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
CID 173322239
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol;zirconium
CID 19936950
azetidine;1,2-dimethylcyclopenta-1,3-diene
CID 174436418
2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene
CID 143114123
1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene
CID 123910588
1-butyl-2-methylcyclopenta-1,3-diene
CID 11252040

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)?
The IUPAC name of 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+) (CID 174756791) is 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+).
What is the SMILES notation for 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)?
The canonical SMILES for 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+) is CC1=C(Cl)CC=C1.[H-].[H-].[H-].[H-].[Ti+4].
What is the InChIKey of 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)?
The InChIKey is PFLOFFOASAEWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl.Ti.4H/c1-5-3-2-4-6(5)7;;;;;/h2-3H,4H2,1H3;;;;;/q;+4;4*-1.
What are the key properties of 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)?
1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+) has a molecular weight of 166.47 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+) is sourced from PubChem (CID 174756791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).