CID 172746450

C20H33F2SiZr — CID 172746450

IUPAC—
SMILESCCC[c-]1cccc1C.CCC[c-]1cccc1C.C[SiH]C.[F-].[F-].[Zr+4]
InChIInChI=1S/2C9H13.C2H7Si.2FH.Zr/c2*1-3-5-9-7-4-6-8(9)2;1-3-2;;;/h2*4,6-7H,3,5H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyVWHCMEYJACINIC-UHFFFAOYSA-L
MW430.79 g/mol
LogP-0.14
Rot. Bonds4

About CID 172746450

CID 172746450 (PubChem CID 172746450) has the molecular formula C20H33F2SiZr and a molecular weight of 430.79 g/mol.

Molecular Properties

Compound NameCID 172746450
PubChem CID172746450
Molecular FormulaC20H33F2SiZr
Molecular Weight430.79 g/mol
Exact Mass429.14
IUPAC Name—
SMILESCCC[c-]1cccc1C.CCC[c-]1cccc1C.C[SiH]C.[F-].[F-].[Zr+4]
InChIInChI=1S/2C9H13.C2H7Si.2FH.Zr/c2*1-3-5-9-7-4-6-8(9)2;1-3-2;;;/h2*4,6-7H,3,5H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyVWHCMEYJACINIC-UHFFFAOYSA-L
XLogP-0.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.79
LogP ≤ 5-0.14
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

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Frequently Asked Questions

What is the IUPAC name of CID 172746450?
The IUPAC name of CID 172746450 (CID 172746450) is not available.
What is the SMILES notation for CID 172746450?
The canonical SMILES for CID 172746450 is CCC[c-]1cccc1C.CCC[c-]1cccc1C.C[SiH]C.[F-].[F-].[Zr+4].
What is the InChIKey of CID 172746450?
The InChIKey is VWHCMEYJACINIC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.C2H7Si.2FH.Zr/c2*1-3-5-9-7-4-6-8(9)2;1-3-2;;;/h2*4,6-7H,3,5H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 172746450?
CID 172746450 has a molecular weight of 430.79 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172746450 is sourced from PubChem (CID 172746450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).