CID 101060247

C15H24ClIO2SiZn- — CID 101060247

IUPAC—
SMILESCC[Si]1(CC)[C]=C2CC(COC)(COC)CC2=C1I.[Cl-].[Zn]
InChIInChI=1S/C15H24IO2Si.ClH.Zn/c1-5-19(6-2)9-12-7-15(10-17-3,11-18-4)8-13(12)14(19)16;;/h5-8,10-11H2,1-4H3;1H;/p-1
InChIKeyUNNOFNJIZWYBJT-UHFFFAOYSA-M
MW492.19 g/mol
LogP1.06
Rot. Bonds6

About CID 101060247

CID 101060247 (PubChem CID 101060247) has the molecular formula C15H24ClIO2SiZn- and a molecular weight of 492.19 g/mol.

Molecular Properties

Compound NameCID 101060247
PubChem CID101060247
Molecular FormulaC15H24ClIO2SiZn-
Molecular Weight492.19 g/mol
Exact Mass489.96
IUPAC Name—
SMILESCC[Si]1(CC)[C]=C2CC(COC)(COC)CC2=C1I.[Cl-].[Zn]
InChIInChI=1S/C15H24IO2Si.ClH.Zn/c1-5-19(6-2)9-12-7-15(10-17-3,11-18-4)8-13(12)14(19)16;;/h5-8,10-11H2,1-4H3;1H;/p-1
InChIKeyUNNOFNJIZWYBJT-UHFFFAOYSA-M
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101060247?
The IUPAC name of CID 101060247 (CID 101060247) is not available.
What is the SMILES notation for CID 101060247?
The canonical SMILES for CID 101060247 is CC[Si]1(CC)[C]=C2CC(COC)(COC)CC2=C1I.[Cl-].[Zn].
What is the InChIKey of CID 101060247?
The InChIKey is UNNOFNJIZWYBJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24IO2Si.ClH.Zn/c1-5-19(6-2)9-12-7-15(10-17-3,11-18-4)8-13(12)14(19)16;;/h5-8,10-11H2,1-4H3;1H;/p-1.
What are the key properties of CID 101060247?
CID 101060247 has a molecular weight of 492.19 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101060247 is sourced from PubChem (CID 101060247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).