CID 155601617

C10H12IOSi — CID 155601617

IUPAC—
SMILESCC(C)(C)Oc1cccc([Si])c1I
InChIInChI=1S/C10H12IOSi/c1-10(2,3)12-7-5-4-6-8(13)9(7)11/h4-6H,1-3H3
InChIKeyHWBBVGIZGWJHMA-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.26
Rot. Bonds1

About CID 155601617

CID 155601617 (PubChem CID 155601617) has the molecular formula C10H12IOSi and a molecular weight of 303.19 g/mol.

Molecular Properties

Compound NameCID 155601617
PubChem CID155601617
Molecular FormulaC10H12IOSi
Molecular Weight303.19 g/mol
Exact Mass302.97
IUPAC Name—
SMILESCC(C)(C)Oc1cccc([Si])c1I
InChIInChI=1S/C10H12IOSi/c1-10(2,3)12-7-5-4-6-8(13)9(7)11/h4-6H,1-3H3
InChIKeyHWBBVGIZGWJHMA-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 155601617?
The IUPAC name of CID 155601617 (CID 155601617) is not available.
What is the SMILES notation for CID 155601617?
The canonical SMILES for CID 155601617 is CC(C)(C)Oc1cccc([Si])c1I.
What is the InChIKey of CID 155601617?
The InChIKey is HWBBVGIZGWJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IOSi/c1-10(2,3)12-7-5-4-6-8(13)9(7)11/h4-6H,1-3H3.
What are the key properties of CID 155601617?
CID 155601617 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 155601617 is sourced from PubChem (CID 155601617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).