CID 173020150

C16H27Cl2SiZr — CID 173020150

IUPAC—
SMILESC[SiH]C.Cc1c[c-](C)c(C)c1C.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C9H13.C5H5.C2H7Si.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;1-3-2;;;/h5H,1-4H3;1-3H,4H2;3H,1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyQOIXIGZIJNAHAO-UHFFFAOYSA-N
MW409.61 g/mol
LogP5.31
Rot. Bonds

About CID 173020150

CID 173020150 (PubChem CID 173020150) has the molecular formula C16H27Cl2SiZr and a molecular weight of 409.61 g/mol.

Molecular Properties

Compound NameCID 173020150
PubChem CID173020150
Molecular FormulaC16H27Cl2SiZr
Molecular Weight409.61 g/mol
Exact Mass407.03
IUPAC Name—
SMILESC[SiH]C.Cc1c[c-](C)c(C)c1C.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C9H13.C5H5.C2H7Si.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;1-3-2;;;/h5H,1-4H3;1-3H,4H2;3H,1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyQOIXIGZIJNAHAO-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 55.31
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 173020150?
The IUPAC name of CID 173020150 (CID 173020150) is not available.
What is the SMILES notation for CID 173020150?
The canonical SMILES for CID 173020150 is C[SiH]C.Cc1c[c-](C)c(C)c1C.Cl.Cl.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of CID 173020150?
The InChIKey is QOIXIGZIJNAHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C5H5.C2H7Si.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;1-3-2;;;/h5H,1-4H3;1-3H,4H2;3H,1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of CID 173020150?
CID 173020150 has a molecular weight of 409.61 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173020150 is sourced from PubChem (CID 173020150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).