CID 59895721

C12H22N2O5SiV — CID 59895721

IUPAC—
SMILES[3H]C1CC(OCC(=O)NCCCC[Si]OC)C(CON=[V])O1
InChIInChI=1S/C12H22N2O5Si.V/c1-16-20-7-3-2-5-14-12(15)9-18-10-4-6-17-11(10)8-19-13;/h10-11H,2-9H2,1H3,(H,14,15);/i6T;
InChIKeyPXGOGZYGQSOXNN-IZNLTOPRSA-N
MW355.36 g/mol
LogP0.40
Rot. Bonds12

About CID 59895721

CID 59895721 (PubChem CID 59895721) has the molecular formula C12H22N2O5SiV and a molecular weight of 355.36 g/mol.

Molecular Properties

Compound NameCID 59895721
PubChem CID59895721
Molecular FormulaC12H22N2O5SiV
Molecular Weight355.36 g/mol
Exact Mass355.08
IUPAC Name—
SMILES[3H]C1CC(OCC(=O)NCCCC[Si]OC)C(CON=[V])O1
InChIInChI=1S/C12H22N2O5Si.V/c1-16-20-7-3-2-5-14-12(15)9-18-10-4-6-17-11(10)8-19-13;/h10-11H,2-9H2,1H3,(H,14,15);/i6T;
InChIKeyPXGOGZYGQSOXNN-IZNLTOPRSA-N
XLogP0.40
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 59895721?
The IUPAC name of CID 59895721 (CID 59895721) is not available.
What is the SMILES notation for CID 59895721?
The canonical SMILES for CID 59895721 is [3H]C1CC(OCC(=O)NCCCC[Si]OC)C(CON=[V])O1.
What is the InChIKey of CID 59895721?
The InChIKey is PXGOGZYGQSOXNN-IZNLTOPRSA-N. The full InChI is InChI=1S/C12H22N2O5Si.V/c1-16-20-7-3-2-5-14-12(15)9-18-10-4-6-17-11(10)8-19-13;/h10-11H,2-9H2,1H3,(H,14,15);/i6T;.
What are the key properties of CID 59895721?
CID 59895721 has a molecular weight of 355.36 g/mol, XLogP of 0.40, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59895721 is sourced from PubChem (CID 59895721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).