carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride

C14H24Cl2OSiZr-4 — CID 173213216

IUPACcarbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH2-]CCO.[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C5H5.C3H7O.CH3.2ClH.H2Si.Zr/c2*1-2-4-5-3-1;1-2-3-4;;;;;/h2*1-3H,4H2;4H,1-3H2;1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyMRAUYHJPCWHGFE-UHFFFAOYSA-N
MW398.56 g/mol
LogP3.19
Rot. Bonds1

About carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride

carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride (PubChem CID 173213216) has the molecular formula C14H24Cl2OSiZr-4 and a molecular weight of 398.56 g/mol. Its IUPAC name is carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride
PubChem CID173213216
Molecular FormulaC14H24Cl2OSiZr-4
Molecular Weight398.56 g/mol
Exact Mass396.00
IUPAC Namecarbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH2-]CCO.[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C5H5.C3H7O.CH3.2ClH.H2Si.Zr/c2*1-2-4-5-3-1;1-2-3-4;;;;;/h2*1-3H,4H2;4H,1-3H2;1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyMRAUYHJPCWHGFE-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride?
The IUPAC name of carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride (CID 173213216) is carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride.
What is the SMILES notation for carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride?
The canonical SMILES for carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride is Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH2-]CCO.[CH3-].[SiH2]=[Zr].
What is the InChIKey of carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride?
The InChIKey is MRAUYHJPCWHGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C3H7O.CH3.2ClH.H2Si.Zr/c2*1-2-4-5-3-1;1-2-3-4;;;;;/h2*1-3H,4H2;4H,1-3H2;1H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride?
carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride has a molecular weight of 398.56 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopenta-1,3-diene);propan-1-ol;silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173213216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).