CID 162716056

C6H12NO3Si — CID 162716056

IUPAC—
SMILESCCO[Si](OCC)OCC#N
InChIInChI=1S/C6H12NO3Si/c1-3-8-11(9-4-2)10-6-5-7/h3-4,6H2,1-2H3
InChIKeyHDFGKDWUVPBXGJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.58
Rot. Bonds6

About CID 162716056

CID 162716056 (PubChem CID 162716056) has the molecular formula C6H12NO3Si and a molecular weight of 174.25 g/mol.

Molecular Properties

Compound NameCID 162716056
PubChem CID162716056
Molecular FormulaC6H12NO3Si
Molecular Weight174.25 g/mol
Exact Mass174.06
IUPAC Name—
SMILESCCO[Si](OCC)OCC#N
InChIInChI=1S/C6H12NO3Si/c1-3-8-11(9-4-2)10-6-5-7/h3-4,6H2,1-2H3
InChIKeyHDFGKDWUVPBXGJ-UHFFFAOYSA-N
XLogP0.58
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 162716056?
The IUPAC name of CID 162716056 (CID 162716056) is not available.
What is the SMILES notation for CID 162716056?
The canonical SMILES for CID 162716056 is CCO[Si](OCC)OCC#N.
What is the InChIKey of CID 162716056?
The InChIKey is HDFGKDWUVPBXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO3Si/c1-3-8-11(9-4-2)10-6-5-7/h3-4,6H2,1-2H3.
What are the key properties of CID 162716056?
CID 162716056 has a molecular weight of 174.25 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162716056 is sourced from PubChem (CID 162716056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).