dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)

C20H30Cl2Ti-2 — CID 18544218

IUPACdichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.Cl[Ti]Cl
InChIInChI=1S/2C10H15.2ClH.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyYKEMZCKEKGQVLK-UHFFFAOYSA-L
MW389.23 g/mol
LogP7.60
Rot. Bonds

About dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)

dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) (PubChem CID 18544218) has the molecular formula C20H30Cl2Ti-2 and a molecular weight of 389.23 g/mol. Its IUPAC name is dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)
PubChem CID18544218
Molecular FormulaC20H30Cl2Ti-2
Molecular Weight389.23 g/mol
Exact Mass388.12
IUPAC Namedichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.Cl[Ti]Cl
InChIInChI=1S/2C10H15.2ClH.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyYKEMZCKEKGQVLK-UHFFFAOYSA-L
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.23
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)?
The IUPAC name of dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) (CID 18544218) is dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene).
What is the SMILES notation for dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)?
The canonical SMILES for dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) is CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)?
The InChIKey is YKEMZCKEKGQVLK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2ClH.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)?
dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) has a molecular weight of 389.23 g/mol, XLogP of 7.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) is sourced from PubChem (CID 18544218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).