CID 175554613

C12H15O2Si — CID 175554613

IUPAC—
SMILESC=CCO[Si].c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O.C3H5OSi/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-4-5/h1-2,4,6H,3,5,7H2;2H,1,3H2
InChIKeySDRKLEMYPQKEIM-UHFFFAOYSA-N
MW219.34 g/mol
LogP2.28
Rot. Bonds2

About CID 175554613

CID 175554613 (PubChem CID 175554613) has the molecular formula C12H15O2Si and a molecular weight of 219.34 g/mol.

Molecular Properties

Compound NameCID 175554613
PubChem CID175554613
Molecular FormulaC12H15O2Si
Molecular Weight219.34 g/mol
Exact Mass219.08
IUPAC Name—
SMILESC=CCO[Si].c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O.C3H5OSi/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-4-5/h1-2,4,6H,3,5,7H2;2H,1,3H2
InChIKeySDRKLEMYPQKEIM-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175554613?
The IUPAC name of CID 175554613 (CID 175554613) is not available.
What is the SMILES notation for CID 175554613?
The canonical SMILES for CID 175554613 is C=CCO[Si].c1ccc2c(c1)CCCO2.
What is the InChIKey of CID 175554613?
The InChIKey is SDRKLEMYPQKEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C3H5OSi/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-4-5/h1-2,4,6H,3,5,7H2;2H,1,3H2.
What are the key properties of CID 175554613?
CID 175554613 has a molecular weight of 219.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175554613 is sourced from PubChem (CID 175554613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).