CID 134991811

C26H30Cl2SiZr — CID 134991811

IUPAC—
SMILESC[C]1[CH][C]2[C]([C]1[Si](C)(C)[C]1[C](C)[CH][C]3[C]1C(C)=CC=C3C)C(C)=CC=C2C.Cl[Zr]Cl
InChIInChI=1S/C26H30Si.2ClH.Zr/c1-15-9-11-17(3)23-21(15)13-19(5)25(23)27(7,8)26-20(6)14-22-16(2)10-12-18(4)24(22)26;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyJLJPSGNXVSCEJO-UHFFFAOYSA-L
MW532.74 g/mol
LogP8.03
Rot. Bonds2

About CID 134991811

CID 134991811 (PubChem CID 134991811) has the molecular formula C26H30Cl2SiZr and a molecular weight of 532.74 g/mol.

Molecular Properties

Compound NameCID 134991811
PubChem CID134991811
Molecular FormulaC26H30Cl2SiZr
Molecular Weight532.74 g/mol
Exact Mass530.05
IUPAC Name—
SMILESC[C]1[CH][C]2[C]([C]1[Si](C)(C)[C]1[C](C)[CH][C]3[C]1C(C)=CC=C3C)C(C)=CC=C2C.Cl[Zr]Cl
InChIInChI=1S/C26H30Si.2ClH.Zr/c1-15-9-11-17(3)23-21(15)13-19(5)25(23)27(7,8)26-20(6)14-22-16(2)10-12-18(4)24(22)26;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyJLJPSGNXVSCEJO-UHFFFAOYSA-L
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.74
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134991811?
The IUPAC name of CID 134991811 (CID 134991811) is not available.
What is the SMILES notation for CID 134991811?
The canonical SMILES for CID 134991811 is C[C]1[CH][C]2[C]([C]1[Si](C)(C)[C]1[C](C)[CH][C]3[C]1C(C)=CC=C3C)C(C)=CC=C2C.Cl[Zr]Cl.
What is the InChIKey of CID 134991811?
The InChIKey is JLJPSGNXVSCEJO-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H30Si.2ClH.Zr/c1-15-9-11-17(3)23-21(15)13-19(5)25(23)27(7,8)26-20(6)14-22-16(2)10-12-18(4)24(22)26;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 134991811?
CID 134991811 has a molecular weight of 532.74 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134991811 is sourced from PubChem (CID 134991811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).