CID 173325502

C27H41Cl2SiZr — CID 173325502

IUPAC—
SMILESCC.CC1=[C-]C(C)C=C1C.C[Si].Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C16H21.C8H11.C2H6.CH3Si.2ClH.Zr/c1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-6-4-7(2)8(3)5-6;2*1-2;;;/h6-11H,1-5H3;4,6H,1-3H3;1-2H3;1H3;2*1H;/q2*-1;;;;;+4/p-2
InChIKeyQSDGOECZKFRUMS-UHFFFAOYSA-L
MW555.84 g/mol
LogP2.68
Rot. Bonds2

About CID 173325502

CID 173325502 (PubChem CID 173325502) has the molecular formula C27H41Cl2SiZr and a molecular weight of 555.84 g/mol.

Molecular Properties

Compound NameCID 173325502
PubChem CID173325502
Molecular FormulaC27H41Cl2SiZr
Molecular Weight555.84 g/mol
Exact Mass553.14
IUPAC Name—
SMILESCC.CC1=[C-]C(C)C=C1C.C[Si].Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C16H21.C8H11.C2H6.CH3Si.2ClH.Zr/c1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-6-4-7(2)8(3)5-6;2*1-2;;;/h6-11H,1-5H3;4,6H,1-3H3;1-2H3;1H3;2*1H;/q2*-1;;;;;+4/p-2
InChIKeyQSDGOECZKFRUMS-UHFFFAOYSA-L
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.84
LogP ≤ 52.68
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 173325502 with MolForge

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

Launch Full Analysis

Related Compounds

carbanide;ethene;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);zirconium(3+)
CID 161496120
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
CID 173247752
CID 173229784
CID 173229784
CID 173312539
CID 173312539
2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
CID 174405016
dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 159142372
bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride
CID 161434563
2,7-ditert-butyl-9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);2,3,5-trimethylcyclopenta-1,3-diene;dichloride
CID 87463652
dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride
CID 158166164
(4-tert-butylphenyl)methylidenezirconium(2+);2,7-ditert-butyl-9H-fluoren-9-ide;2,3,5-trimethylcyclopenta-1,3-diene;dichloride
CID 87629410
cyclohexylidenezirconium(2+);2,7-ditert-butyl-9H-fluoren-9-ide;2,5-dimethyl-3-propan-2-ylcyclopenta-1,3-diene;dichloride
CID 87464064
CID 174380723
CID 174380723

Frequently Asked Questions

What is the IUPAC name of CID 173325502?
The IUPAC name of CID 173325502 (CID 173325502) is not available.
What is the SMILES notation for CID 173325502?
The canonical SMILES for CID 173325502 is CC.CC1=[C-]C(C)C=C1C.C[Si].Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173325502?
The InChIKey is QSDGOECZKFRUMS-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H21.C8H11.C2H6.CH3Si.2ClH.Zr/c1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-6-4-7(2)8(3)5-6;2*1-2;;;/h6-11H,1-5H3;4,6H,1-3H3;1-2H3;1H3;2*1H;/q2*-1;;;;;+4/p-2.
What are the key properties of CID 173325502?
CID 173325502 has a molecular weight of 555.84 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173325502 is sourced from PubChem (CID 173325502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).