CID 162696897

C16H34N2O3Si — CID 162696897

IUPAC—
SMILESCOC(OC)[Si]CCCNC1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C16H34N2O3Si/c1-15(2)11-13(12-16(3,4)18(15)21-7)17-9-8-10-22-14(19-5)20-6/h13-14,17H,8-12H2,1-7H3
InChIKeyYOFUPPVJETYKLX-UHFFFAOYSA-N
MW330.55 g/mol
LogP2.25
Rot. Bonds9

About CID 162696897

CID 162696897 (PubChem CID 162696897) has the molecular formula C16H34N2O3Si and a molecular weight of 330.55 g/mol.

Molecular Properties

Compound NameCID 162696897
PubChem CID162696897
Molecular FormulaC16H34N2O3Si
Molecular Weight330.55 g/mol
Exact Mass330.23
IUPAC Name—
SMILESCOC(OC)[Si]CCCNC1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C16H34N2O3Si/c1-15(2)11-13(12-16(3,4)18(15)21-7)17-9-8-10-22-14(19-5)20-6/h13-14,17H,8-12H2,1-7H3
InChIKeyYOFUPPVJETYKLX-UHFFFAOYSA-N
XLogP2.25
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 162696897?
The IUPAC name of CID 162696897 (CID 162696897) is not available.
What is the SMILES notation for CID 162696897?
The canonical SMILES for CID 162696897 is COC(OC)[Si]CCCNC1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of CID 162696897?
The InChIKey is YOFUPPVJETYKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3Si/c1-15(2)11-13(12-16(3,4)18(15)21-7)17-9-8-10-22-14(19-5)20-6/h13-14,17H,8-12H2,1-7H3.
What are the key properties of CID 162696897?
CID 162696897 has a molecular weight of 330.55 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162696897 is sourced from PubChem (CID 162696897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).