CID 140892716

C11H16O3Si — CID 140892716

IUPAC—
SMILESC[Si]OCCCOCc1ccccc1O
InChIInChI=1S/C11H16O3Si/c1-15-14-8-4-7-13-9-10-5-2-3-6-11(10)12/h2-3,5-6,12H,4,7-9H2,1H3
InChIKeyYKCXZXQTZDDVRY-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.98
Rot. Bonds7

About CID 140892716

CID 140892716 (PubChem CID 140892716) has the molecular formula C11H16O3Si and a molecular weight of 224.33 g/mol.

Molecular Properties

Compound NameCID 140892716
PubChem CID140892716
Molecular FormulaC11H16O3Si
Molecular Weight224.33 g/mol
Exact Mass224.09
IUPAC Name—
SMILESC[Si]OCCCOCc1ccccc1O
InChIInChI=1S/C11H16O3Si/c1-15-14-8-4-7-13-9-10-5-2-3-6-11(10)12/h2-3,5-6,12H,4,7-9H2,1H3
InChIKeyYKCXZXQTZDDVRY-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-[(2-fluorophenyl)methoxy]propan-1-ol
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2,3-bis(2-phenylethoxymethyl)phenol;2,3-bis(3-phenylpropoxymethyl)phenol
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Frequently Asked Questions

What is the IUPAC name of CID 140892716?
The IUPAC name of CID 140892716 (CID 140892716) is not available.
What is the SMILES notation for CID 140892716?
The canonical SMILES for CID 140892716 is C[Si]OCCCOCc1ccccc1O.
What is the InChIKey of CID 140892716?
The InChIKey is YKCXZXQTZDDVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3Si/c1-15-14-8-4-7-13-9-10-5-2-3-6-11(10)12/h2-3,5-6,12H,4,7-9H2,1H3.
What are the key properties of CID 140892716?
CID 140892716 has a molecular weight of 224.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140892716 is sourced from PubChem (CID 140892716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).