CID 67791181

C19H33N2O5Si — CID 67791181

IUPAC—
SMILESC=CCOC(=O)N[C@@H]1CN(C(=O)OCC=C)[C@](CO[Si](C)C)(C(C)(C)C)C1
InChIInChI=1S/C19H33N2O5Si/c1-8-10-24-16(22)20-15-12-19(18(3,4)5,14-26-27(6)7)21(13-15)17(23)25-11-9-2/h8-9,15H,1-2,10-14H2,3-7H3,(H,20,22)/t15-,19+/m0/s1
InChIKeyFCFWTUVHVKZUTL-HNAYVOBHSA-N
MW397.57 g/mol
LogP3.35
Rot. Bonds8

About CID 67791181

CID 67791181 (PubChem CID 67791181) has the molecular formula C19H33N2O5Si and a molecular weight of 397.57 g/mol.

Molecular Properties

Compound NameCID 67791181
PubChem CID67791181
Molecular FormulaC19H33N2O5Si
Molecular Weight397.57 g/mol
Exact Mass397.22
IUPAC Name—
SMILESC=CCOC(=O)N[C@@H]1CN(C(=O)OCC=C)[C@](CO[Si](C)C)(C(C)(C)C)C1
InChIInChI=1S/C19H33N2O5Si/c1-8-10-24-16(22)20-15-12-19(18(3,4)5,14-26-27(6)7)21(13-15)17(23)25-11-9-2/h8-9,15H,1-2,10-14H2,3-7H3,(H,20,22)/t15-,19+/m0/s1
InChIKeyFCFWTUVHVKZUTL-HNAYVOBHSA-N
XLogP3.35
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 67791181?
The IUPAC name of CID 67791181 (CID 67791181) is not available.
What is the SMILES notation for CID 67791181?
The canonical SMILES for CID 67791181 is C=CCOC(=O)N[C@@H]1CN(C(=O)OCC=C)[C@](CO[Si](C)C)(C(C)(C)C)C1.
What is the InChIKey of CID 67791181?
The InChIKey is FCFWTUVHVKZUTL-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H33N2O5Si/c1-8-10-24-16(22)20-15-12-19(18(3,4)5,14-26-27(6)7)21(13-15)17(23)25-11-9-2/h8-9,15H,1-2,10-14H2,3-7H3,(H,20,22)/t15-,19+/m0/s1.
What are the key properties of CID 67791181?
CID 67791181 has a molecular weight of 397.57 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67791181 is sourced from PubChem (CID 67791181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).