CID 68821757

C13H24NO4Si — CID 68821757

IUPAC—
SMILESCC(=O)O[C@H]1NC(=O)[C@H]1[C@@H](CO[Si](C)C)C(C)(C)C
InChIInChI=1S/C13H24NO4Si/c1-8(15)18-12-10(11(16)14-12)9(13(2,3)4)7-17-19(5)6/h9-10,12H,7H2,1-6H3,(H,14,16)/t9-,10-,12-/m1/s1
InChIKeyPTHAZDAYRSZGSR-CKYFFXLPSA-N
MW286.42 g/mol
LogP1.55
Rot. Bonds5

About CID 68821757

CID 68821757 (PubChem CID 68821757) has the molecular formula C13H24NO4Si and a molecular weight of 286.42 g/mol.

Molecular Properties

Compound NameCID 68821757
PubChem CID68821757
Molecular FormulaC13H24NO4Si
Molecular Weight286.42 g/mol
Exact Mass286.15
IUPAC Name—
SMILESCC(=O)O[C@H]1NC(=O)[C@H]1[C@@H](CO[Si](C)C)C(C)(C)C
InChIInChI=1S/C13H24NO4Si/c1-8(15)18-12-10(11(16)14-12)9(13(2,3)4)7-17-19(5)6/h9-10,12H,7H2,1-6H3,(H,14,16)/t9-,10-,12-/m1/s1
InChIKeyPTHAZDAYRSZGSR-CKYFFXLPSA-N
XLogP1.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 68821757?
The IUPAC name of CID 68821757 (CID 68821757) is not available.
What is the SMILES notation for CID 68821757?
The canonical SMILES for CID 68821757 is CC(=O)O[C@H]1NC(=O)[C@H]1[C@@H](CO[Si](C)C)C(C)(C)C.
What is the InChIKey of CID 68821757?
The InChIKey is PTHAZDAYRSZGSR-CKYFFXLPSA-N. The full InChI is InChI=1S/C13H24NO4Si/c1-8(15)18-12-10(11(16)14-12)9(13(2,3)4)7-17-19(5)6/h9-10,12H,7H2,1-6H3,(H,14,16)/t9-,10-,12-/m1/s1.
What are the key properties of CID 68821757?
CID 68821757 has a molecular weight of 286.42 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68821757 is sourced from PubChem (CID 68821757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).