CID 155601631

C10H12IOSi — CID 155601631

IUPAC—
SMILESCC(C)(C)Oc1cccc(I)c1[Si]
InChIInChI=1S/C10H12IOSi/c1-10(2,3)12-8-6-4-5-7(11)9(8)13/h4-6H,1-3H3
InChIKeyIJXMSOWHLQBJNV-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.26
Rot. Bonds1

About CID 155601631

CID 155601631 (PubChem CID 155601631) has the molecular formula C10H12IOSi and a molecular weight of 303.19 g/mol.

Molecular Properties

Compound NameCID 155601631
PubChem CID155601631
Molecular FormulaC10H12IOSi
Molecular Weight303.19 g/mol
Exact Mass302.97
IUPAC Name—
SMILESCC(C)(C)Oc1cccc(I)c1[Si]
InChIInChI=1S/C10H12IOSi/c1-10(2,3)12-8-6-4-5-7(11)9(8)13/h4-6H,1-3H3
InChIKeyIJXMSOWHLQBJNV-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 155601631?
The IUPAC name of CID 155601631 (CID 155601631) is not available.
What is the SMILES notation for CID 155601631?
The canonical SMILES for CID 155601631 is CC(C)(C)Oc1cccc(I)c1[Si].
What is the InChIKey of CID 155601631?
The InChIKey is IJXMSOWHLQBJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IOSi/c1-10(2,3)12-8-6-4-5-7(11)9(8)13/h4-6H,1-3H3.
What are the key properties of CID 155601631?
CID 155601631 has a molecular weight of 303.19 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601631 is sourced from PubChem (CID 155601631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).