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

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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).