CID 177114475

C17H32NO2Si3 — CID 177114475

IUPAC—
SMILESC=Cc1cccc([Si](OC)OCCN([Si](C)(C)C)[Si](C)(C)C)c1
InChIInChI=1S/C17H32NO2Si3/c1-9-16-11-10-12-17(15-16)21(19-2)20-14-13-18(22(3,4)5)23(6,7)8/h9-12,15H,1,13-14H2,2-8H3
InChIKeyVUSCXKCOVLKTCP-UHFFFAOYSA-N
MW366.71 g/mol
LogP3.66
Rot. Bonds9

About CID 177114475

CID 177114475 (PubChem CID 177114475) has the molecular formula C17H32NO2Si3 and a molecular weight of 366.71 g/mol.

Molecular Properties

Compound NameCID 177114475
PubChem CID177114475
Molecular FormulaC17H32NO2Si3
Molecular Weight366.71 g/mol
Exact Mass366.17
IUPAC Name—
SMILESC=Cc1cccc([Si](OC)OCCN([Si](C)(C)C)[Si](C)(C)C)c1
InChIInChI=1S/C17H32NO2Si3/c1-9-16-11-10-12-17(15-16)21(19-2)20-14-13-18(22(3,4)5)23(6,7)8/h9-12,15H,1,13-14H2,2-8H3
InChIKeyVUSCXKCOVLKTCP-UHFFFAOYSA-N
XLogP3.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.71
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 177114475?
The IUPAC name of CID 177114475 (CID 177114475) is not available.
What is the SMILES notation for CID 177114475?
The canonical SMILES for CID 177114475 is C=Cc1cccc([Si](OC)OCCN([Si](C)(C)C)[Si](C)(C)C)c1.
What is the InChIKey of CID 177114475?
The InChIKey is VUSCXKCOVLKTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32NO2Si3/c1-9-16-11-10-12-17(15-16)21(19-2)20-14-13-18(22(3,4)5)23(6,7)8/h9-12,15H,1,13-14H2,2-8H3.
What are the key properties of CID 177114475?
CID 177114475 has a molecular weight of 366.71 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177114475 is sourced from PubChem (CID 177114475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).