1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium

C10H16Cl2Ti — CID 174488581

IUPAC1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
SMILESCCCCC1=CC=CC1C.Cl[Ti]Cl
InChIInChI=1S/C10H16.2ClH.Ti/c1-3-4-7-10-8-5-6-9(10)2;;;/h5-6,8-9H,3-4,7H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyYFSYWMRCDKAPIJ-UHFFFAOYSA-L
MW255.01 g/mol
LogP4.69
Rot. Bonds3

About 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium

1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium (PubChem CID 174488581) has the molecular formula C10H16Cl2Ti and a molecular weight of 255.01 g/mol. Its IUPAC name is 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium.

Molecular Properties

Compound Name1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
PubChem CID174488581
Molecular FormulaC10H16Cl2Ti
Molecular Weight255.01 g/mol
Exact Mass254.01
IUPAC Name1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
SMILESCCCCC1=CC=CC1C.Cl[Ti]Cl
InChIInChI=1S/C10H16.2ClH.Ti/c1-3-4-7-10-8-5-6-9(10)2;;;/h5-6,8-9H,3-4,7H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyYFSYWMRCDKAPIJ-UHFFFAOYSA-L
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.01
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium?
The IUPAC name of 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium (CID 174488581) is 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium.
What is the SMILES notation for 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium?
The canonical SMILES for 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium is CCCCC1=CC=CC1C.Cl[Ti]Cl.
What is the InChIKey of 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium?
The InChIKey is YFSYWMRCDKAPIJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16.2ClH.Ti/c1-3-4-7-10-8-5-6-9(10)2;;;/h5-6,8-9H,3-4,7H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium?
1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium has a molecular weight of 255.01 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium is sourced from PubChem (CID 174488581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).