dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)

C20H30Cl2Ti-2 — CID 585084

IUPACdichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cl[Ti]Cl
InChIInChI=1S/2C10H15.2ClH.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyGVALCGIJIBXWAJ-UHFFFAOYSA-L
MW389.23 g/mol
LogP7.27
Rot. Bonds

About dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)

dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) (PubChem CID 585084) has the molecular formula C20H30Cl2Ti-2 and a molecular weight of 389.23 g/mol. Its IUPAC name is dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
PubChem CID585084
Molecular FormulaC20H30Cl2Ti-2
Molecular Weight389.23 g/mol
Exact Mass388.12
IUPAC Namedichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cl[Ti]Cl
InChIInChI=1S/2C10H15.2ClH.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyGVALCGIJIBXWAJ-UHFFFAOYSA-L
XLogP7.27
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 ≤ 57.27
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(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The IUPAC name of dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) (CID 585084) is dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene).
What is the SMILES notation for dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The canonical SMILES for dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) is Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The InChIKey is GVALCGIJIBXWAJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2ClH.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) has a molecular weight of 389.23 g/mol, XLogP of 7.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) is sourced from PubChem (CID 585084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).