carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride

C9H21Cl2O3SiZr-3 — CID 173213248

IUPACcarbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride
SMILESCO.Cl.Cl.O=[Zr]=[SiH2].[C-]1=CC=CC1.[CH2-]CO.[CH3-]
InChIInChI=1S/C5H5.C2H5O.CH4O.CH3.2ClH.O.H2Si.Zr/c1-2-4-5-3-1;1-2-3;1-2;;;;;;/h1-3H,4H2;3H,1-2H2;2H,1H3;1H3;2*1H;;1H2;/q2*-1;;-1;;;;;
InChIKeyNQBQCSMDPMFJHK-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.98
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride

carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride (PubChem CID 173213248) has the molecular formula C9H21Cl2O3SiZr-3 and a molecular weight of 367.48 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride
PubChem CID173213248
Molecular FormulaC9H21Cl2O3SiZr-3
Molecular Weight367.48 g/mol
Exact Mass364.97
IUPAC Namecarbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride
SMILESCO.Cl.Cl.O=[Zr]=[SiH2].[C-]1=CC=CC1.[CH2-]CO.[CH3-]
InChIInChI=1S/C5H5.C2H5O.CH4O.CH3.2ClH.O.H2Si.Zr/c1-2-4-5-3-1;1-2-3;1-2;;;;;;/h1-3H,4H2;3H,1-2H2;2H,1H3;1H3;2*1H;;1H2;/q2*-1;;-1;;;;;
InChIKeyNQBQCSMDPMFJHK-UHFFFAOYSA-N
XLogP0.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.98
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 173214871
CID 173214871
carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride
CID 173213216
bis(cyclopenta-1,3-diene);iron(2+);methanol
CID 175123773
bis(cyclopenta-1,3-diene);methanol;titanium(2+)
CID 23439273
carbanide;cyclopenta-1,3-diene;ethanol;hydroxy(trimethyl)silane;oxo(silylidene)titanium;dihydrochloride
CID 173198906
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CID 175387408
magnesium;cyclopenta-1,3-diene;propane
CID 140515591
bis(cyclopenta-1,3-diene);propane;titanium(4+)
CID 21256119
carbanide;cyclopenta-1,3-diene;N,N-dimethylethanamine;titanium;dihydrochloride
CID 87101474
cyclopenta-1,3-diene;bis(methanediol);titanium
CID 174427753
carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
CID 173008932
butane;carbanide;cyclopenta-1,3-diene;manganese(3+)
CID 174921078

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride?
The IUPAC name of carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride (CID 173213248) is carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride is CO.Cl.Cl.O=[Zr]=[SiH2].[C-]1=CC=CC1.[CH2-]CO.[CH3-].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride?
The InChIKey is NQBQCSMDPMFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C2H5O.CH4O.CH3.2ClH.O.H2Si.Zr/c1-2-4-5-3-1;1-2-3;1-2;;;;;;/h1-3H,4H2;3H,1-2H2;2H,1H3;1H3;2*1H;;1H2;/q2*-1;;-1;;;;;.
What are the key properties of carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride?
carbanide;cyclopenta-1,3-diene;ethanol;methanol;oxo(silylidene)zirconium;dihydrochloride has a molecular weight of 367.48 g/mol, XLogP of 0.98, 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;methanol;oxo(silylidene)zirconium;dihydrochloride is sourced from PubChem (CID 173213248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).