CID 174379852

C30H37Cl2SiZr — CID 174379852

IUPAC—
SMILESCC(C)c1c[cH-]c(-c2ccccc2)c1.CC(C)c1c[cH-]c(-c2ccccc2)c1.C[SiH]C.Cl[Zr+2]Cl
InChIInChI=1S/2C14H15.C2H7Si.2ClH.Zr/c2*1-11(2)13-8-9-14(10-13)12-6-4-3-5-7-12;1-3-2;;;/h2*3-11H,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyLHOFVEZSVIKBPZ-UHFFFAOYSA-L
MW587.84 g/mol
LogP10.29
Rot. Bonds4

About CID 174379852

CID 174379852 (PubChem CID 174379852) has the molecular formula C30H37Cl2SiZr and a molecular weight of 587.84 g/mol.

Molecular Properties

Compound NameCID 174379852
PubChem CID174379852
Molecular FormulaC30H37Cl2SiZr
Molecular Weight587.84 g/mol
Exact Mass585.11
IUPAC Name—
SMILESCC(C)c1c[cH-]c(-c2ccccc2)c1.CC(C)c1c[cH-]c(-c2ccccc2)c1.C[SiH]C.Cl[Zr+2]Cl
InChIInChI=1S/2C14H15.C2H7Si.2ClH.Zr/c2*1-11(2)13-8-9-14(10-13)12-6-4-3-5-7-12;1-3-2;;;/h2*3-11H,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyLHOFVEZSVIKBPZ-UHFFFAOYSA-L
XLogP10.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.84
LogP ≤ 510.29
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 174379852?
The IUPAC name of CID 174379852 (CID 174379852) is not available.
What is the SMILES notation for CID 174379852?
The canonical SMILES for CID 174379852 is CC(C)c1c[cH-]c(-c2ccccc2)c1.CC(C)c1c[cH-]c(-c2ccccc2)c1.C[SiH]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 174379852?
The InChIKey is LHOFVEZSVIKBPZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H15.C2H7Si.2ClH.Zr/c2*1-11(2)13-8-9-14(10-13)12-6-4-3-5-7-12;1-3-2;;;/h2*3-11H,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 174379852?
CID 174379852 has a molecular weight of 587.84 g/mol, XLogP of 10.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174379852 is sourced from PubChem (CID 174379852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).