CID 173020151

C16H25Cl2SiZr — CID 173020151

IUPAC—
SMILESC[SiH]C.Cc1[cH-]c(C)c(C)c1C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
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;;;;+4/p-2
InChIKeyKPCKFPZTKQEMHF-UHFFFAOYSA-L
MW407.59 g/mol
LogP-1.53
Rot. Bonds

About CID 173020151

CID 173020151 (PubChem CID 173020151) has the molecular formula C16H25Cl2SiZr and a molecular weight of 407.59 g/mol.

Molecular Properties

Compound NameCID 173020151
PubChem CID173020151
Molecular FormulaC16H25Cl2SiZr
Molecular Weight407.59 g/mol
Exact Mass405.01
IUPAC Name—
SMILESC[SiH]C.Cc1[cH-]c(C)c(C)c1C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
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;;;;+4/p-2
InChIKeyKPCKFPZTKQEMHF-UHFFFAOYSA-L
XLogP-1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 5-1.53
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 173020151?
The IUPAC name of CID 173020151 (CID 173020151) is not available.
What is the SMILES notation for CID 173020151?
The canonical SMILES for CID 173020151 is C[SiH]C.Cc1[cH-]c(C)c(C)c1C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173020151?
The InChIKey is KPCKFPZTKQEMHF-UHFFFAOYSA-L. 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;;;;+4/p-2.
What are the key properties of CID 173020151?
CID 173020151 has a molecular weight of 407.59 g/mol, XLogP of -1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173020151 is sourced from PubChem (CID 173020151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).