CID 175002505

C8H9OSi — CID 175002505

IUPAC
SMILESCOc1ccc(C)cc1[Si]
InChIInChI=1S/C8H9OSi/c1-6-3-4-7(9-2)8(10)5-6/h3-5H,1-2H3
InChIKeyIWVBGRCSGLMAOH-UHFFFAOYSA-N
MW149.24 g/mol
LogP0.80
Rot. Bonds1

About CID 175002505

CID 175002505 (PubChem CID 175002505) has the molecular formula C8H9OSi and a molecular weight of 149.24 g/mol.

Molecular Properties

Compound NameCID 175002505
PubChem CID175002505
Molecular FormulaC8H9OSi
Molecular Weight149.24 g/mol
Exact Mass149.04
IUPAC Name
SMILESCOc1ccc(C)cc1[Si]
InChIInChI=1S/C8H9OSi/c1-6-3-4-7(9-2)8(10)5-6/h3-5H,1-2H3
InChIKeyIWVBGRCSGLMAOH-UHFFFAOYSA-N
XLogP0.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175002505?
The IUPAC name of CID 175002505 (CID 175002505) is not available.
What is the SMILES notation for CID 175002505?
The canonical SMILES for CID 175002505 is COc1ccc(C)cc1[Si].
What is the InChIKey of CID 175002505?
The InChIKey is IWVBGRCSGLMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9OSi/c1-6-3-4-7(9-2)8(10)5-6/h3-5H,1-2H3.
What are the key properties of CID 175002505?
CID 175002505 has a molecular weight of 149.24 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175002505 is sourced from PubChem (CID 175002505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).