dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene

C9H14Cl2Ti — CID 174388271

IUPACdichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=CC=CC1C.Cl[Ti]Cl
InChIInChI=1S/C9H14.2ClH.Ti/c1-7(2)9-6-4-5-8(9)3;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyWFIXSLWTSKZGKI-UHFFFAOYSA-L
MW240.98 g/mol
LogP4.15
Rot. Bonds1

About dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene

dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene (PubChem CID 174388271) has the molecular formula C9H14Cl2Ti and a molecular weight of 240.98 g/mol. Its IUPAC name is dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
PubChem CID174388271
Molecular FormulaC9H14Cl2Ti
Molecular Weight240.98 g/mol
Exact Mass240.00
IUPAC Namedichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=CC=CC1C.Cl[Ti]Cl
InChIInChI=1S/C9H14.2ClH.Ti/c1-7(2)9-6-4-5-8(9)3;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyWFIXSLWTSKZGKI-UHFFFAOYSA-L
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.98
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene 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

(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene
CID 59910093
6-methyl-5-propan-2-ylcyclohexa-2,4-diene-1-carbonitrile
CID 90706145
5-ethyl-1-propan-2-ylcyclopenta-1,3-diene
CID 169222891
1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174488581
2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
CID 123183468
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
3-methyl-7-propan-2-yl-1,3-dihydroazepin-2-one
CID 45096279
N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine
CID 45096214
1-methyl-3-propan-2-yl-2H-pyridin-2-ol
CID 135127171
2-bromo-7-hydroxy-3-propan-2-ylcyclohepta-3,5-dien-1-one
CID 118155001
CID 134888675
CID 134888675

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene?
The IUPAC name of dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene (CID 174388271) is dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene?
The canonical SMILES for dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene is CC(C)C1=CC=CC1C.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene?
The InChIKey is WFIXSLWTSKZGKI-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H14.2ClH.Ti/c1-7(2)9-6-4-5-8(9)3;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene?
dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene has a molecular weight of 240.98 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 174388271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).