CID 135081337

C24H26Cl2SiZr — CID 135081337

IUPAC—
SMILESC[C]1[CH][C]2[C](C=CC=C2C)[C]1[Si](C)(C)[C]1[C](C)[CH][C]2[C]1C=CC=C2C.Cl[Zr]Cl
InChIInChI=1S/C24H26Si.2ClH.Zr/c1-15-9-7-11-19-21(15)13-17(3)23(19)25(5,6)24-18(4)14-22-16(2)10-8-12-20(22)24;;;/h7-14H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyGFOOKXHWEYFXHP-UHFFFAOYSA-L
MW504.69 g/mol
LogP7.25
Rot. Bonds2

About CID 135081337

CID 135081337 (PubChem CID 135081337) has the molecular formula C24H26Cl2SiZr and a molecular weight of 504.69 g/mol.

Molecular Properties

Compound NameCID 135081337
PubChem CID135081337
Molecular FormulaC24H26Cl2SiZr
Molecular Weight504.69 g/mol
Exact Mass502.02
IUPAC Name—
SMILESC[C]1[CH][C]2[C](C=CC=C2C)[C]1[Si](C)(C)[C]1[C](C)[CH][C]2[C]1C=CC=C2C.Cl[Zr]Cl
InChIInChI=1S/C24H26Si.2ClH.Zr/c1-15-9-7-11-19-21(15)13-17(3)23(19)25(5,6)24-18(4)14-22-16(2)10-8-12-20(22)24;;;/h7-14H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyGFOOKXHWEYFXHP-UHFFFAOYSA-L
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.69
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Dichloro[rel-(1R,1'R)-(dimethylsilylene)bis[(1,2,3,3a,7a-eta)-1H-inden-1-ylidene]]zirconium
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Bis(2-methyl-indenyl) zirconium dichloride
CID 16213039
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 21982021
CID 102600867
CID 102600867
Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-
CID 102602477
CID 134991811
CID 134991811
CID 134991816
CID 134991816
CID 134991817
CID 134991817
CID 135046583
CID 135046583
CID 135081340
CID 135081340
CID 135081452
CID 135081452
CID 135081454
CID 135081454

Frequently Asked Questions

What is the IUPAC name of CID 135081337?
The IUPAC name of CID 135081337 (CID 135081337) is not available.
What is the SMILES notation for CID 135081337?
The canonical SMILES for CID 135081337 is C[C]1[CH][C]2[C](C=CC=C2C)[C]1[Si](C)(C)[C]1[C](C)[CH][C]2[C]1C=CC=C2C.Cl[Zr]Cl.
What is the InChIKey of CID 135081337?
The InChIKey is GFOOKXHWEYFXHP-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H26Si.2ClH.Zr/c1-15-9-7-11-19-21(15)13-17(3)23(19)25(5,6)24-18(4)14-22-16(2)10-8-12-20(22)24;;;/h7-14H,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 135081337?
CID 135081337 has a molecular weight of 504.69 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135081337 is sourced from PubChem (CID 135081337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).