bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide

C20H30I2Ti2+4 — CID 172696941

IUPACbis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[I-].[I-].[Ti+4].[Ti+4]
InChIInChI=1S/2C10H15.2HI.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;;/h2*1-5H3;2*1H;;/q2*-1;;;2*+4/p-2
InChIKeyWSVFJZTYGIOPGO-UHFFFAOYSA-L
MW620.00 g/mol
LogP-0.10
Rot. Bonds

About bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide

bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide (PubChem CID 172696941) has the molecular formula C20H30I2Ti2+4 and a molecular weight of 620.00 g/mol. Its IUPAC name is bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide.

Molecular Properties

Compound Namebis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
PubChem CID172696941
Molecular FormulaC20H30I2Ti2+4
Molecular Weight620.00 g/mol
Exact Mass619.94
IUPAC Namebis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[I-].[I-].[Ti+4].[Ti+4]
InChIInChI=1S/2C10H15.2HI.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;;/h2*1-5H3;2*1H;;/q2*-1;;;2*+4/p-2
InChIKeyWSVFJZTYGIOPGO-UHFFFAOYSA-L
XLogP-0.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.00
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide?
The IUPAC name of bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide (CID 172696941) is bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide.
What is the SMILES notation for bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide?
The canonical SMILES for bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide is Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[I-].[I-].[Ti+4].[Ti+4].
What is the InChIKey of bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide?
The InChIKey is WSVFJZTYGIOPGO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2HI.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;;/h2*1-5H3;2*1H;;/q2*-1;;;2*+4/p-2.
What are the key properties of bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide?
bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide has a molecular weight of 620.00 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide is sourced from PubChem (CID 172696941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).