CID 174763347

C9H13O2Si — CID 174763347

IUPAC—
SMILESCC[Si].COc1ccccc1O
InChIInChI=1S/C7H8O2.C2H5Si/c1-9-7-5-3-2-4-6(7)8;1-2-3/h2-5,8H,1H3;2H2,1H3
InChIKeySLAWSVYXTLTNMD-UHFFFAOYSA-N
MW181.29 g/mol
LogP1.99
Rot. Bonds1

About CID 174763347

CID 174763347 (PubChem CID 174763347) has the molecular formula C9H13O2Si and a molecular weight of 181.29 g/mol.

Molecular Properties

Compound NameCID 174763347
PubChem CID174763347
Molecular FormulaC9H13O2Si
Molecular Weight181.29 g/mol
Exact Mass181.07
IUPAC Name—
SMILESCC[Si].COc1ccccc1O
InChIInChI=1S/C7H8O2.C2H5Si/c1-9-7-5-3-2-4-6(7)8;1-2-3/h2-5,8H,1H3;2H2,1H3
InChIKeySLAWSVYXTLTNMD-UHFFFAOYSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.29
LogP ≤ 51.99
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 174763347?
The IUPAC name of CID 174763347 (CID 174763347) is not available.
What is the SMILES notation for CID 174763347?
The canonical SMILES for CID 174763347 is CC[Si].COc1ccccc1O.
What is the InChIKey of CID 174763347?
The InChIKey is SLAWSVYXTLTNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C2H5Si/c1-9-7-5-3-2-4-6(7)8;1-2-3/h2-5,8H,1H3;2H2,1H3.
What are the key properties of CID 174763347?
CID 174763347 has a molecular weight of 181.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174763347 is sourced from PubChem (CID 174763347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).