CID 134850239

C14H21NO2Si — CID 134850239

IUPAC—
SMILES[2H]C([2H])(/[C]=C1\CN(C)C(=O)\C1=[C]/[Si](C)(C)C)OCC=C
InChIInChI=1S/C14H21NO2Si/c1-6-8-17-9-7-12-10-15(2)14(16)13(12)11-18(3,4)5/h6H,1,8-10H2,2-5H3/i9D2
InChIKeyNQHUDLVYIYMALI-KNXIQCGSSA-N
MW265.43 g/mol
LogP2.00
Rot. Bonds5

About CID 134850239

CID 134850239 (PubChem CID 134850239) has the molecular formula C14H21NO2Si and a molecular weight of 265.43 g/mol.

Molecular Properties

Compound NameCID 134850239
PubChem CID134850239
Molecular FormulaC14H21NO2Si
Molecular Weight265.43 g/mol
Exact Mass265.15
IUPAC Name—
SMILES[2H]C([2H])(/[C]=C1\CN(C)C(=O)\C1=[C]/[Si](C)(C)C)OCC=C
InChIInChI=1S/C14H21NO2Si/c1-6-8-17-9-7-12-10-15(2)14(16)13(12)11-18(3,4)5/h6H,1,8-10H2,2-5H3/i9D2
InChIKeyNQHUDLVYIYMALI-KNXIQCGSSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 134850239?
The IUPAC name of CID 134850239 (CID 134850239) is not available.
What is the SMILES notation for CID 134850239?
The canonical SMILES for CID 134850239 is [2H]C([2H])(/[C]=C1\CN(C)C(=O)\C1=[C]/[Si](C)(C)C)OCC=C.
What is the InChIKey of CID 134850239?
The InChIKey is NQHUDLVYIYMALI-KNXIQCGSSA-N. The full InChI is InChI=1S/C14H21NO2Si/c1-6-8-17-9-7-12-10-15(2)14(16)13(12)11-18(3,4)5/h6H,1,8-10H2,2-5H3/i9D2.
What are the key properties of CID 134850239?
CID 134850239 has a molecular weight of 265.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134850239 is sourced from PubChem (CID 134850239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).