CID 173193951

C34H48Cl2SiZr — CID 173193951

IUPAC—
SMILESCCC(C)c1ccc(C)c2[cH-]c(C)c(C)c12.CCC(C)c1ccc(C)c2[cH-]c(C)c(C)c12.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C16H21.C2H6Si.2ClH.Zr/c2*1-6-10(2)14-8-7-11(3)15-9-12(4)13(5)16(14)15;1-3-2;;;/h2*7-10H,6H2,1-5H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeySRBWNKOUSBYVKX-UHFFFAOYSA-L
MW646.97 g/mol
LogP12.16
Rot. Bonds4

About CID 173193951

CID 173193951 (PubChem CID 173193951) has the molecular formula C34H48Cl2SiZr and a molecular weight of 646.97 g/mol.

Molecular Properties

Compound NameCID 173193951
PubChem CID173193951
Molecular FormulaC34H48Cl2SiZr
Molecular Weight646.97 g/mol
Exact Mass644.19
IUPAC Name—
SMILESCCC(C)c1ccc(C)c2[cH-]c(C)c(C)c12.CCC(C)c1ccc(C)c2[cH-]c(C)c(C)c12.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C16H21.C2H6Si.2ClH.Zr/c2*1-6-10(2)14-8-7-11(3)15-9-12(4)13(5)16(14)15;1-3-2;;;/h2*7-10H,6H2,1-5H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeySRBWNKOUSBYVKX-UHFFFAOYSA-L
XLogP12.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.97
LogP ≤ 512.16
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

tetrakis(4-butan-2-yl-2,3,7-trimethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
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dibutylsilylidenezirconium(2+);bis(2,3,7-trimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride
CID 87864900
CID 173193871
CID 173193871
bis(4-butan-2-yl-2,7-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 157327552
CID 173299646
CID 173299646
CID 173178098
CID 173178098
1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene
CID 123429131
CID 172801081
CID 172801081
4-butan-2-yl-2-chloro-3-methylphenol
CID 130032518
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
CID 173193882
CID 173193882
4-butan-2-yl-3-methylphenol
CID 21413615

Frequently Asked Questions

What is the IUPAC name of CID 173193951?
The IUPAC name of CID 173193951 (CID 173193951) is not available.
What is the SMILES notation for CID 173193951?
The canonical SMILES for CID 173193951 is CCC(C)c1ccc(C)c2[cH-]c(C)c(C)c12.CCC(C)c1ccc(C)c2[cH-]c(C)c(C)c12.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173193951?
The InChIKey is SRBWNKOUSBYVKX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H21.C2H6Si.2ClH.Zr/c2*1-6-10(2)14-8-7-11(3)15-9-12(4)13(5)16(14)15;1-3-2;;;/h2*7-10H,6H2,1-5H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173193951?
CID 173193951 has a molecular weight of 646.97 g/mol, XLogP of 12.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173193951 is sourced from PubChem (CID 173193951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).