CID 135081419

C16H31K2NO3Si+ — CID 135081419

IUPAC—
SMILESC=C[CH]C(CO[Si](C)(C)C(C)(C)C)[N-]C(=O)OC(C)(C)C.[K+].[K+]
InChIInChI=1S/C16H32NO3Si.2K/c1-10-11-13(17-14(18)20-15(2,3)4)12-19-21(8,9)16(5,6)7;;/h10-11,13H,1,12H2,2-9H3,(H,17,18);;/q;2*+1/p-1
InChIKeyVFEVYKYVMQDTKP-UHFFFAOYSA-M
MW391.71 g/mol
LogP-0.92
Rot. Bonds6

About CID 135081419

CID 135081419 (PubChem CID 135081419) has the molecular formula C16H31K2NO3Si+ and a molecular weight of 391.71 g/mol.

Molecular Properties

Compound NameCID 135081419
PubChem CID135081419
Molecular FormulaC16H31K2NO3Si+
Molecular Weight391.71 g/mol
Exact Mass391.13
IUPAC Name—
SMILESC=C[CH]C(CO[Si](C)(C)C(C)(C)C)[N-]C(=O)OC(C)(C)C.[K+].[K+]
InChIInChI=1S/C16H32NO3Si.2K/c1-10-11-13(17-14(18)20-15(2,3)4)12-19-21(8,9)16(5,6)7;;/h10-11,13H,1,12H2,2-9H3,(H,17,18);;/q;2*+1/p-1
InChIKeyVFEVYKYVMQDTKP-UHFFFAOYSA-M
XLogP-0.92
TPSA49.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.71
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 135081419?
The IUPAC name of CID 135081419 (CID 135081419) is not available.
What is the SMILES notation for CID 135081419?
The canonical SMILES for CID 135081419 is C=C[CH]C(CO[Si](C)(C)C(C)(C)C)[N-]C(=O)OC(C)(C)C.[K+].[K+].
What is the InChIKey of CID 135081419?
The InChIKey is VFEVYKYVMQDTKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32NO3Si.2K/c1-10-11-13(17-14(18)20-15(2,3)4)12-19-21(8,9)16(5,6)7;;/h10-11,13H,1,12H2,2-9H3,(H,17,18);;/q;2*+1/p-1.
What are the key properties of CID 135081419?
CID 135081419 has a molecular weight of 391.71 g/mol, XLogP of -0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135081419 is sourced from PubChem (CID 135081419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).