CID 151781953

C26H32SiZr — CID 151781953

IUPAC—
SMILESCC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.C[Si]C.[Zr+2]
InChIInChI=1S/2C12H13.C2H6Si.Zr/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-3-2;/h2*3-9H,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyHSRRZGFBPLRYIT-UHFFFAOYSA-N
MW463.85 g/mol
LogP8.15
Rot. Bonds2

About CID 151781953

CID 151781953 (PubChem CID 151781953) has the molecular formula C26H32SiZr and a molecular weight of 463.85 g/mol.

Molecular Properties

Compound NameCID 151781953
PubChem CID151781953
Molecular FormulaC26H32SiZr
Molecular Weight463.85 g/mol
Exact Mass462.13
IUPAC Name—
SMILESCC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.C[Si]C.[Zr+2]
InChIInChI=1S/2C12H13.C2H6Si.Zr/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-3-2;/h2*3-9H,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyHSRRZGFBPLRYIT-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.85
LogP ≤ 58.15
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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Frequently Asked Questions

What is the IUPAC name of CID 151781953?
The IUPAC name of CID 151781953 (CID 151781953) is not available.
What is the SMILES notation for CID 151781953?
The canonical SMILES for CID 151781953 is CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.C[Si]C.[Zr+2].
What is the InChIKey of CID 151781953?
The InChIKey is HSRRZGFBPLRYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13.C2H6Si.Zr/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-3-2;/h2*3-9H,1-2H3;1-2H3;/q2*-1;;+2.
What are the key properties of CID 151781953?
CID 151781953 has a molecular weight of 463.85 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151781953 is sourced from PubChem (CID 151781953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).