CID 174984966

C9H18NO3Si — CID 174984966

IUPAC—
SMILESC=CC(=O)OCCN(C)C.C=[Si]OC
InChIInChI=1S/C7H13NO2.C2H5OSi/c1-4-7(9)10-6-5-8(2)3;1-3-4-2/h4H,1,5-6H2,2-3H3;2H2,1H3
InChIKeyWJCMWISADISKSL-UHFFFAOYSA-N
MW216.33 g/mol
LogP-0.04
Rot. Bonds5

About CID 174984966

CID 174984966 (PubChem CID 174984966) has the molecular formula C9H18NO3Si and a molecular weight of 216.33 g/mol.

Molecular Properties

Compound NameCID 174984966
PubChem CID174984966
Molecular FormulaC9H18NO3Si
Molecular Weight216.33 g/mol
Exact Mass216.11
IUPAC Name—
SMILESC=CC(=O)OCCN(C)C.C=[Si]OC
InChIInChI=1S/C7H13NO2.C2H5OSi/c1-4-7(9)10-6-5-8(2)3;1-3-4-2/h4H,1,5-6H2,2-3H3;2H2,1H3
InChIKeyWJCMWISADISKSL-UHFFFAOYSA-N
XLogP-0.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174984966?
The IUPAC name of CID 174984966 (CID 174984966) is not available.
What is the SMILES notation for CID 174984966?
The canonical SMILES for CID 174984966 is C=CC(=O)OCCN(C)C.C=[Si]OC.
What is the InChIKey of CID 174984966?
The InChIKey is WJCMWISADISKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H5OSi/c1-4-7(9)10-6-5-8(2)3;1-3-4-2/h4H,1,5-6H2,2-3H3;2H2,1H3.
What are the key properties of CID 174984966?
CID 174984966 has a molecular weight of 216.33 g/mol, XLogP of -0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174984966 is sourced from PubChem (CID 174984966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).