CID 173063860

C18H29Cl2SiZr — CID 173063860

IUPAC—
SMILESCCC1=C[C-]=C(C)C1.CCC1=C[C-]=C(C)C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C8H11.C2H7Si.2ClH.Zr/c2*1-3-8-5-4-7(2)6-8;1-3-2;;;/h2*5H,3,6H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyZJAAZCOMBFEEJA-UHFFFAOYSA-L
MW435.65 g/mol
LogP-0.52
Rot. Bonds2

About CID 173063860

CID 173063860 (PubChem CID 173063860) has the molecular formula C18H29Cl2SiZr and a molecular weight of 435.65 g/mol.

Molecular Properties

Compound NameCID 173063860
PubChem CID173063860
Molecular FormulaC18H29Cl2SiZr
Molecular Weight435.65 g/mol
Exact Mass433.05
IUPAC Name—
SMILESCCC1=C[C-]=C(C)C1.CCC1=C[C-]=C(C)C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C8H11.C2H7Si.2ClH.Zr/c2*1-3-8-5-4-7(2)6-8;1-3-2;;;/h2*5H,3,6H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyZJAAZCOMBFEEJA-UHFFFAOYSA-L
XLogP-0.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.65
LogP ≤ 5-0.52
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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Frequently Asked Questions

What is the IUPAC name of CID 173063860?
The IUPAC name of CID 173063860 (CID 173063860) is not available.
What is the SMILES notation for CID 173063860?
The canonical SMILES for CID 173063860 is CCC1=C[C-]=C(C)C1.CCC1=C[C-]=C(C)C1.C[SiH]C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173063860?
The InChIKey is ZJAAZCOMBFEEJA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.C2H7Si.2ClH.Zr/c2*1-3-8-5-4-7(2)6-8;1-3-2;;;/h2*5H,3,6H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173063860?
CID 173063860 has a molecular weight of 435.65 g/mol, XLogP of -0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173063860 is sourced from PubChem (CID 173063860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).