CID 90242969

C9H11O2Si — CID 90242969

IUPAC—
SMILESCCOc1cc(C)c(O)c([Si])c1
InChIInChI=1S/C9H11O2Si/c1-3-11-7-4-6(2)9(10)8(12)5-7/h4-5,10H,3H2,1-2H3
InChIKeyCYYVICGXRUUZOX-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.89
Rot. Bonds2

About CID 90242969

CID 90242969 (PubChem CID 90242969) has the molecular formula C9H11O2Si and a molecular weight of 179.27 g/mol.

Molecular Properties

Compound NameCID 90242969
PubChem CID90242969
Molecular FormulaC9H11O2Si
Molecular Weight179.27 g/mol
Exact Mass179.05
IUPAC Name—
SMILESCCOc1cc(C)c(O)c([Si])c1
InChIInChI=1S/C9H11O2Si/c1-3-11-7-4-6(2)9(10)8(12)5-7/h4-5,10H,3H2,1-2H3
InChIKeyCYYVICGXRUUZOX-UHFFFAOYSA-N
XLogP0.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 90242969?
The IUPAC name of CID 90242969 (CID 90242969) is not available.
What is the SMILES notation for CID 90242969?
The canonical SMILES for CID 90242969 is CCOc1cc(C)c(O)c([Si])c1.
What is the InChIKey of CID 90242969?
The InChIKey is CYYVICGXRUUZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2Si/c1-3-11-7-4-6(2)9(10)8(12)5-7/h4-5,10H,3H2,1-2H3.
What are the key properties of CID 90242969?
CID 90242969 has a molecular weight of 179.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90242969 is sourced from PubChem (CID 90242969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).