CID 173060777

C26H33SiZr — CID 173060777

IUPAC—
SMILESCC(C)(C)C1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.C[Si]C.[CH3-].[CH3-].[Zr+3]
InChIInChI=1S/C22H21.C2H6Si.2CH3.Zr/c1-22(2,3)17-12-11-16(13-17)19-9-6-10-20-18-8-5-4-7-15(18)14-21(19)20;1-3-2;;;/h4-10,12-14H,11H2,1-3H3;1-2H3;2*1H3;/q-1;;2*-1;+3
InChIKeyDPDMGIDZCYTCML-UHFFFAOYSA-N
MW464.86 g/mol
LogP8.16
Rot. Bonds1

About CID 173060777

CID 173060777 (PubChem CID 173060777) has the molecular formula C26H33SiZr and a molecular weight of 464.86 g/mol.

Molecular Properties

Compound NameCID 173060777
PubChem CID173060777
Molecular FormulaC26H33SiZr
Molecular Weight464.86 g/mol
Exact Mass463.14
IUPAC Name—
SMILESCC(C)(C)C1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.C[Si]C.[CH3-].[CH3-].[Zr+3]
InChIInChI=1S/C22H21.C2H6Si.2CH3.Zr/c1-22(2,3)17-12-11-16(13-17)19-9-6-10-20-18-8-5-4-7-15(18)14-21(19)20;1-3-2;;;/h4-10,12-14H,11H2,1-3H3;1-2H3;2*1H3;/q-1;;2*-1;+3
InChIKeyDPDMGIDZCYTCML-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.86
LogP ≤ 58.16
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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Related Compounds

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[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride
CID 22375891
benzhydrylidenezirconium(2+);1-(3-ethylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide;dichloride
CID 87161796
1-(2-methylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide;zirconium(3+);dichloride
CID 87394466
CID 173225769
CID 173225769
CID 173294042
CID 173294042
CID 173294525
CID 173294525
CID 173104995
CID 173104995
CID 172998775
CID 172998775
CID 158536136
CID 158536136
CID 173301069
CID 173301069

Frequently Asked Questions

What is the IUPAC name of CID 173060777?
The IUPAC name of CID 173060777 (CID 173060777) is not available.
What is the SMILES notation for CID 173060777?
The canonical SMILES for CID 173060777 is CC(C)(C)C1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.C[Si]C.[CH3-].[CH3-].[Zr+3].
What is the InChIKey of CID 173060777?
The InChIKey is DPDMGIDZCYTCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21.C2H6Si.2CH3.Zr/c1-22(2,3)17-12-11-16(13-17)19-9-6-10-20-18-8-5-4-7-15(18)14-21(19)20;1-3-2;;;/h4-10,12-14H,11H2,1-3H3;1-2H3;2*1H3;/q-1;;2*-1;+3.
What are the key properties of CID 173060777?
CID 173060777 has a molecular weight of 464.86 g/mol, XLogP of 8.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173060777 is sourced from PubChem (CID 173060777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).