bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride

C15H22Cl2SiTi-4 — CID 87973656

IUPACbis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride
SMILESCC(C)=[Ti]=[Si](C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/2C5H5.C3H6.C2H6Si.2ClH.Ti/c2*1-2-4-5-3-1;2*1-3-2;;;/h2*1-3H,4H2;2*1-2H3;2*1H;/q2*-1;;;;;/p-2
InChIKeyHPSONAAEGBDDEE-UHFFFAOYSA-L
MW349.20 g/mol
LogP-1.85
Rot. Bonds

About bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride

bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride (PubChem CID 87973656) has the molecular formula C15H22Cl2SiTi-4 and a molecular weight of 349.20 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride
PubChem CID87973656
Molecular FormulaC15H22Cl2SiTi-4
Molecular Weight349.20 g/mol
Exact Mass348.04
IUPAC Namebis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride
SMILESCC(C)=[Ti]=[Si](C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/2C5H5.C3H6.C2H6Si.2ClH.Ti/c2*1-2-4-5-3-1;2*1-3-2;;;/h2*1-3H,4H2;2*1-2H3;2*1H;/q2*-1;;;;;/p-2
InChIKeyHPSONAAEGBDDEE-UHFFFAOYSA-L
XLogP-1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 22023550
CID 22023550
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CID 175123773
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CID 22239884
bis(cyclopenta-1,3-diene);propan-2-ylidenehafnium(2+);dihydrochloride
CID 87162561
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;ethane;vanadium;trichloride
CID 173025504
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674
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CID 22261293

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride?
The IUPAC name of bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride (CID 87973656) is bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride?
The canonical SMILES for bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride is CC(C)=[Ti]=[Si](C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].
What is the InChIKey of bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride?
The InChIKey is HPSONAAEGBDDEE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H5.C3H6.C2H6Si.2ClH.Ti/c2*1-2-4-5-3-1;2*1-3-2;;;/h2*1-3H,4H2;2*1-2H3;2*1H;/q2*-1;;;;;/p-2.
What are the key properties of bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride?
bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride has a molecular weight of 349.20 g/mol, XLogP of -1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);dimethylsilylidene(propan-2-ylidene)titanium;dichloride is sourced from PubChem (CID 87973656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).