carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride

C11H28Cl2O3Si2Ti-2 — CID 173198906

IUPACcarbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride
SMILESCCO.C[Si](C)(C)O.Cl.Cl.O=[Ti]=[SiH2].[C-]1=CC=CC1.[CH3-]
InChIInChI=1S/C5H5.C3H10OSi.C2H6O.CH3.2ClH.O.H2Si.Ti/c1-2-4-5-3-1;1-5(2,3)4;1-2-3;;;;;;/h1-3H,4H2;4H,1-3H3;3H,2H2,1H3;1H3;2*1H;;1H2;/q-1;;;-1;;;;;
InChIKeyPLLGYWVNSYSTOR-UHFFFAOYSA-N
MW383.29 g/mol
LogP2.37
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride

carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride (PubChem CID 173198906) has the molecular formula C11H28Cl2O3Si2Ti-2 and a molecular weight of 383.29 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride
PubChem CID173198906
Molecular FormulaC11H28Cl2O3Si2Ti-2
Molecular Weight383.29 g/mol
Exact Mass382.04
IUPAC Namecarbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride
SMILESCCO.C[Si](C)(C)O.Cl.Cl.O=[Ti]=[SiH2].[C-]1=CC=CC1.[CH3-]
InChIInChI=1S/C5H5.C3H10OSi.C2H6O.CH3.2ClH.O.H2Si.Ti/c1-2-4-5-3-1;1-5(2,3)4;1-2-3;;;;;;/h1-3H,4H2;4H,1-3H3;3H,2H2,1H3;1H3;2*1H;;1H2;/q-1;;;-1;;;;;
InChIKeyPLLGYWVNSYSTOR-UHFFFAOYSA-N
XLogP2.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 173198933
CID 173198933
carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride
CID 173213248
CID 173214871
CID 173214871
cyclopenta-1,3-diene;bis(methanediol);titanium
CID 174427753
carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
CID 173008932
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride
CID 173213216
bis(trimethylsilyl)azanide;carbanide;cyclopenta-1,3-diene;hafnium;dihydrochloride
CID 87675433
cyclopenta-1,3-diene;propanoic acid;titanium
CID 18781001
bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride
CID 173300775
bis(cyclopenta-1,3-diene);iron(2+);methanol
CID 175123773

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride?
The IUPAC name of carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride (CID 173198906) is carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride is CCO.C[Si](C)(C)O.Cl.Cl.O=[Ti]=[SiH2].[C-]1=CC=CC1.[CH3-].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride?
The InChIKey is PLLGYWVNSYSTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C3H10OSi.C2H6O.CH3.2ClH.O.H2Si.Ti/c1-2-4-5-3-1;1-5(2,3)4;1-2-3;;;;;;/h1-3H,4H2;4H,1-3H3;3H,2H2,1H3;1H3;2*1H;;1H2;/q-1;;;-1;;;;;.
What are the key properties of carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride?
carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride has a molecular weight of 383.29 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride is sourced from PubChem (CID 173198906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).