CID 59804607

C8H15NO4Si — CID 59804607

IUPAC—
SMILESCO[Si]CC(C)NC(=O)OCC1CO1
InChIInChI=1S/C8H15NO4Si/c1-6(5-14-11-2)9-8(10)13-4-7-3-12-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeySXJJEJSCXBFTTC-UHFFFAOYSA-N
MW217.30 g/mol
LogP0.18
Rot. Bonds6

About CID 59804607

CID 59804607 (PubChem CID 59804607) has the molecular formula C8H15NO4Si and a molecular weight of 217.30 g/mol.

Molecular Properties

Compound NameCID 59804607
PubChem CID59804607
Molecular FormulaC8H15NO4Si
Molecular Weight217.30 g/mol
Exact Mass217.08
IUPAC Name—
SMILESCO[Si]CC(C)NC(=O)OCC1CO1
InChIInChI=1S/C8H15NO4Si/c1-6(5-14-11-2)9-8(10)13-4-7-3-12-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeySXJJEJSCXBFTTC-UHFFFAOYSA-N
XLogP0.18
TPSA60.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59804607?
The IUPAC name of CID 59804607 (CID 59804607) is not available.
What is the SMILES notation for CID 59804607?
The canonical SMILES for CID 59804607 is CO[Si]CC(C)NC(=O)OCC1CO1.
What is the InChIKey of CID 59804607?
The InChIKey is SXJJEJSCXBFTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4Si/c1-6(5-14-11-2)9-8(10)13-4-7-3-12-7/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of CID 59804607?
CID 59804607 has a molecular weight of 217.30 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59804607 is sourced from PubChem (CID 59804607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).