CID 23334002

C13H30N3O3Si — CID 23334002

IUPAC
SMILESCCN(CC)OC([Si])(ON(CC)CC)ON(CC)CC
InChIInChI=1S/C13H30N3O3Si/c1-7-14(8-2)17-13(20,18-15(9-3)10-4)19-16(11-5)12-6/h7-12H2,1-6H3
InChIKeyOEPPKWSFUQYJOW-UHFFFAOYSA-N
MW304.49 g/mol
LogP1.59
Rot. Bonds12

About CID 23334002

CID 23334002 (PubChem CID 23334002) has the molecular formula C13H30N3O3Si and a molecular weight of 304.49 g/mol.

Molecular Properties

Compound NameCID 23334002
PubChem CID23334002
Molecular FormulaC13H30N3O3Si
Molecular Weight304.49 g/mol
Exact Mass304.21
IUPAC Name
SMILESCCN(CC)OC([Si])(ON(CC)CC)ON(CC)CC
InChIInChI=1S/C13H30N3O3Si/c1-7-14(8-2)17-13(20,18-15(9-3)10-4)19-16(11-5)12-6/h7-12H2,1-6H3
InChIKeyOEPPKWSFUQYJOW-UHFFFAOYSA-N
XLogP1.59
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 23334002?
The IUPAC name of CID 23334002 (CID 23334002) is not available.
What is the SMILES notation for CID 23334002?
The canonical SMILES for CID 23334002 is CCN(CC)OC([Si])(ON(CC)CC)ON(CC)CC.
What is the InChIKey of CID 23334002?
The InChIKey is OEPPKWSFUQYJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N3O3Si/c1-7-14(8-2)17-13(20,18-15(9-3)10-4)19-16(11-5)12-6/h7-12H2,1-6H3.
What are the key properties of CID 23334002?
CID 23334002 has a molecular weight of 304.49 g/mol, XLogP of 1.59, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23334002 is sourced from PubChem (CID 23334002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).