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

C18H26Cl2Ti-2 — CID 15345642

IUPACdichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene)
SMILESCc1[cH-]c(C)c(C)c1C.Cc1[cH-]c(C)c(C)c1C.Cl[Ti]Cl
InChIInChI=1S/2C9H13.2ClH.Ti/c2*1-6-5-7(2)9(4)8(6)3;;;/h2*5H,1-4H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyZFZRKBHSZYDTGP-UHFFFAOYSA-L
MW361.18 g/mol
LogP6.65
Rot. Bonds

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

dichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene) (PubChem CID 15345642) has the molecular formula C18H26Cl2Ti-2 and a molecular weight of 361.18 g/mol. Its IUPAC name is dichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene)
PubChem CID15345642
Molecular FormulaC18H26Cl2Ti-2
Molecular Weight361.18 g/mol
Exact Mass360.09
IUPAC Namedichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene)
SMILESCc1[cH-]c(C)c(C)c1C.Cc1[cH-]c(C)c(C)c1C.Cl[Ti]Cl
InChIInChI=1S/2C9H13.2ClH.Ti/c2*1-6-5-7(2)9(4)8(6)3;;;/h2*5H,1-4H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyZFZRKBHSZYDTGP-UHFFFAOYSA-L
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.18
LogP ≤ 56.65
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-tetramethylcyclopenta-1,3-diene)?
The IUPAC name of dichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene) (CID 15345642) is dichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene).
What is the SMILES notation for dichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene)?
The canonical SMILES for dichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene) is Cc1[cH-]c(C)c(C)c1C.Cc1[cH-]c(C)c(C)c1C.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene)?
The InChIKey is ZFZRKBHSZYDTGP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.2ClH.Ti/c2*1-6-5-7(2)9(4)8(6)3;;;/h2*5H,1-4H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene)?
dichlorotitanium;bis(1,2,3,4-tetramethylcyclopenta-1,3-diene) has a molecular weight of 361.18 g/mol, XLogP of 6.65, 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-tetramethylcyclopenta-1,3-diene) is sourced from PubChem (CID 15345642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).