1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium

C10H15ClTi — CID 87555173

IUPAC1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=C(C)C(C)(C)C(Cl)=C1C.[Ti]
InChIInChI=1S/C10H15Cl.Ti/c1-6-7(2)9(11)10(4,5)8(6)3;/h1-5H3;
InChIKeyWVBSZWOPRDJQFG-UHFFFAOYSA-N
MW218.55 g/mol
LogP3.87
Rot. Bonds

About 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium

1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium (PubChem CID 87555173) has the molecular formula C10H15ClTi and a molecular weight of 218.55 g/mol. Its IUPAC name is 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium
PubChem CID87555173
Molecular FormulaC10H15ClTi
Molecular Weight218.55 g/mol
Exact Mass218.03
IUPAC Name1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=C(C)C(C)(C)C(Cl)=C1C.[Ti]
InChIInChI=1S/C10H15Cl.Ti/c1-6-7(2)9(11)10(4,5)8(6)3;/h1-5H3;
InChIKeyWVBSZWOPRDJQFG-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2,3,4,5,5-pentamethylcyclopenta-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

Related Compounds

Trimethyltrichlorcyclopentadien
CID 129647494
1,2,3,5,5-Pentamethylcyclopenta-1,3-diene;titanium(2+);chloride
CID 19926069
1-Chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
CID 68631430
1-Chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium
CID 87244974
1-Chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum
CID 87523822
3-Chloro-2,5,5-trimethyl-4-methylidenehex-2-ene
CID 126544622
Chlorotitanium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
CID 145820853
1-Chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 170168273
2-Tert-butyl-3-chloro-1,4,5-trimethylcyclopenta-1,3-diene
CID 173146161
Magnesium;1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;hydride
CID 173409408
1-Chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;hafnium
CID 173817932
1-Chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;iridium
CID 173943413

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium (CID 87555173) is 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium is CC1=C(C)C(C)(C)C(Cl)=C1C.[Ti].
What is the InChIKey of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The InChIKey is WVBSZWOPRDJQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl.Ti/c1-6-7(2)9(11)10(4,5)8(6)3;/h1-5H3;.
What are the key properties of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium?
1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium has a molecular weight of 218.55 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 87555173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).