CID 155635530

C13H21NO2Si — CID 155635530

IUPAC—
SMILESCCN([Si]CCC(OC)OC)c1ccccc1
InChIInChI=1S/C13H21NO2Si/c1-4-14(12-8-6-5-7-9-12)17-11-10-13(15-2)16-3/h5-9,13H,4,10-11H2,1-3H3
InChIKeyHYQSZDSAPMPEHC-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.56
Rot. Bonds8

About CID 155635530

CID 155635530 (PubChem CID 155635530) has the molecular formula C13H21NO2Si and a molecular weight of 251.40 g/mol.

Molecular Properties

Compound NameCID 155635530
PubChem CID155635530
Molecular FormulaC13H21NO2Si
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name—
SMILESCCN([Si]CCC(OC)OC)c1ccccc1
InChIInChI=1S/C13H21NO2Si/c1-4-14(12-8-6-5-7-9-12)17-11-10-13(15-2)16-3/h5-9,13H,4,10-11H2,1-3H3
InChIKeyHYQSZDSAPMPEHC-UHFFFAOYSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155635530?
The IUPAC name of CID 155635530 (CID 155635530) is not available.
What is the SMILES notation for CID 155635530?
The canonical SMILES for CID 155635530 is CCN([Si]CCC(OC)OC)c1ccccc1.
What is the InChIKey of CID 155635530?
The InChIKey is HYQSZDSAPMPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2Si/c1-4-14(12-8-6-5-7-9-12)17-11-10-13(15-2)16-3/h5-9,13H,4,10-11H2,1-3H3.
What are the key properties of CID 155635530?
CID 155635530 has a molecular weight of 251.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155635530 is sourced from PubChem (CID 155635530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).