CID 173337639

C18H29Cl2SiZr — CID 173337639

IUPAC—
SMILESCC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C8H11.C2H7Si.2ClH.Zr/c2*1-7(2)8-5-3-4-6-8;1-3-2;;;/h2*3,5,7H,4H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJELIGJRHDQTORV-UHFFFAOYSA-L
MW435.65 g/mol
LogP-0.81
Rot. Bonds2

About CID 173337639

CID 173337639 (PubChem CID 173337639) has the molecular formula C18H29Cl2SiZr and a molecular weight of 435.65 g/mol.

Molecular Properties

Compound NameCID 173337639
PubChem CID173337639
Molecular FormulaC18H29Cl2SiZr
Molecular Weight435.65 g/mol
Exact Mass433.05
IUPAC Name—
SMILESCC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C8H11.C2H7Si.2ClH.Zr/c2*1-7(2)8-5-3-4-6-8;1-3-2;;;/h2*3,5,7H,4H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJELIGJRHDQTORV-UHFFFAOYSA-L
XLogP-0.81
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 ≤ 5-0.81
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'}

Analyze CID 173337639 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 173337639?
The IUPAC name of CID 173337639 (CID 173337639) is not available.
What is the SMILES notation for CID 173337639?
The canonical SMILES for CID 173337639 is CC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173337639?
The InChIKey is JELIGJRHDQTORV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.C2H7Si.2ClH.Zr/c2*1-7(2)8-5-3-4-6-8;1-3-2;;;/h2*3,5,7H,4H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173337639?
CID 173337639 has a molecular weight of 435.65 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173337639 is sourced from PubChem (CID 173337639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).