CID 155601520

C9H10IO2Si — CID 155601520

IUPAC—
SMILESOc1cccc(I)c1OCCC[Si]
InChIInChI=1S/C9H10IO2Si/c10-7-3-1-4-8(11)9(7)12-5-2-6-13/h1,3-4,11H,2,5-6H2
InChIKeySYAMPGXHXIOKDK-UHFFFAOYSA-N
MW305.17 g/mol
LogP2.35
Rot. Bonds4

About CID 155601520

CID 155601520 (PubChem CID 155601520) has the molecular formula C9H10IO2Si and a molecular weight of 305.17 g/mol.

Molecular Properties

Compound NameCID 155601520
PubChem CID155601520
Molecular FormulaC9H10IO2Si
Molecular Weight305.17 g/mol
Exact Mass304.95
IUPAC Name—
SMILESOc1cccc(I)c1OCCC[Si]
InChIInChI=1S/C9H10IO2Si/c10-7-3-1-4-8(11)9(7)12-5-2-6-13/h1,3-4,11H,2,5-6H2
InChIKeySYAMPGXHXIOKDK-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 155601520?
The IUPAC name of CID 155601520 (CID 155601520) is not available.
What is the SMILES notation for CID 155601520?
The canonical SMILES for CID 155601520 is Oc1cccc(I)c1OCCC[Si].
What is the InChIKey of CID 155601520?
The InChIKey is SYAMPGXHXIOKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IO2Si/c10-7-3-1-4-8(11)9(7)12-5-2-6-13/h1,3-4,11H,2,5-6H2.
What are the key properties of CID 155601520?
CID 155601520 has a molecular weight of 305.17 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601520 is sourced from PubChem (CID 155601520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).