carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride

C12H26Cl2O3SiTi-2 — CID 173212202

IUPACcarbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.O=[Ti]=[SiH2].OCCO.[CH3-]
InChIInChI=1S/C9H13.C2H6O2.CH3.2ClH.O.H2Si.Ti/c1-6-5-7(2)9(4)8(6)3;3-1-2-4;;;;;;/h6H,1-4H3;3-4H,1-2H2;1H3;2*1H;;1H2;/q-1;;-1;;;;;
InChIKeyMGJAFJGMLIKQFO-UHFFFAOYSA-N
MW365.20 g/mol
LogP1.95
Rot. Bonds1

About carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride

carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride (PubChem CID 173212202) has the molecular formula C12H26Cl2O3SiTi-2 and a molecular weight of 365.20 g/mol. Its IUPAC name is carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride.

Molecular Properties

Compound Namecarbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
PubChem CID173212202
Molecular FormulaC12H26Cl2O3SiTi-2
Molecular Weight365.20 g/mol
Exact Mass364.05
IUPAC Namecarbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.O=[Ti]=[SiH2].OCCO.[CH3-]
InChIInChI=1S/C9H13.C2H6O2.CH3.2ClH.O.H2Si.Ti/c1-6-5-7(2)9(4)8(6)3;3-1-2-4;;;;;;/h6H,1-4H3;3-4H,1-2H2;1H3;2*1H;;1H2;/q-1;;-1;;;;;
InChIKeyMGJAFJGMLIKQFO-UHFFFAOYSA-N
XLogP1.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The IUPAC name of carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride (CID 173212202) is carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride.
What is the SMILES notation for carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The canonical SMILES for carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride is CC1=[C-]C(C)C(C)=C1C.Cl.Cl.O=[Ti]=[SiH2].OCCO.[CH3-].
What is the InChIKey of carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The InChIKey is MGJAFJGMLIKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C2H6O2.CH3.2ClH.O.H2Si.Ti/c1-6-5-7(2)9(4)8(6)3;3-1-2-4;;;;;;/h6H,1-4H3;3-4H,1-2H2;1H3;2*1H;;1H2;/q-1;;-1;;;;;.
What are the key properties of carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride has a molecular weight of 365.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane-1,2-diol;oxo(silylidene)titanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride is sourced from PubChem (CID 173212202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).