CID 173187653

C20H26Cl2NOSiZr — CID 173187653

IUPAC—
SMILESCC(C)(C)C([NH-])=O.C[SiH]C.Cl[Zr+2]Cl.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H11NO.C2H7Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5(2,3)4(6)7;1-3-2;;;/h1-5,7-8H,9H2;1-3H3,(H2,6,7);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyFSCOLCNUCVVTCN-UHFFFAOYSA-K
MW486.65 g/mol
LogP6.56
Rot. Bonds

About CID 173187653

CID 173187653 (PubChem CID 173187653) has the molecular formula C20H26Cl2NOSiZr and a molecular weight of 486.65 g/mol.

Molecular Properties

Compound NameCID 173187653
PubChem CID173187653
Molecular FormulaC20H26Cl2NOSiZr
Molecular Weight486.65 g/mol
Exact Mass484.02
IUPAC Name—
SMILESCC(C)(C)C([NH-])=O.C[SiH]C.Cl[Zr+2]Cl.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H11NO.C2H7Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5(2,3)4(6)7;1-3-2;;;/h1-5,7-8H,9H2;1-3H3,(H2,6,7);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyFSCOLCNUCVVTCN-UHFFFAOYSA-K
XLogP6.56
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 56.56
H-Bond Donors ≤ 50
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173187653?
The IUPAC name of CID 173187653 (CID 173187653) is not available.
What is the SMILES notation for CID 173187653?
The canonical SMILES for CID 173187653 is CC(C)(C)C([NH-])=O.C[SiH]C.Cl[Zr+2]Cl.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173187653?
The InChIKey is FSCOLCNUCVVTCN-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9.C5H11NO.C2H7Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5(2,3)4(6)7;1-3-2;;;/h1-5,7-8H,9H2;1-3H3,(H2,6,7);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187653?
CID 173187653 has a molecular weight of 486.65 g/mol, XLogP of 6.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187653 is sourced from PubChem (CID 173187653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).