CID 174376117

C16H20CaNSi+ — CID 174376117

IUPAC—
SMILESC[N+](C)(C)[Si]C1c2ccccc2-c2ccccc21.[Ca+2].[H-].[H-]
InChIInChI=1S/C16H18NSi.Ca.2H/c1-17(2,3)18-16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16;;;/h4-11,16H,1-3H3;;;/q+1;+2;2*-1
InChIKeyMOJXEUSXDWKPOR-UHFFFAOYSA-N
MW294.51 g/mol
LogP2.93
Rot. Bonds2

About CID 174376117

CID 174376117 (PubChem CID 174376117) has the molecular formula C16H20CaNSi+ and a molecular weight of 294.51 g/mol.

Molecular Properties

Compound NameCID 174376117
PubChem CID174376117
Molecular FormulaC16H20CaNSi+
Molecular Weight294.51 g/mol
Exact Mass294.10
IUPAC Name—
SMILESC[N+](C)(C)[Si]C1c2ccccc2-c2ccccc21.[Ca+2].[H-].[H-]
InChIInChI=1S/C16H18NSi.Ca.2H/c1-17(2,3)18-16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16;;;/h4-11,16H,1-3H3;;;/q+1;+2;2*-1
InChIKeyMOJXEUSXDWKPOR-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 174376117?
The IUPAC name of CID 174376117 (CID 174376117) is not available.
What is the SMILES notation for CID 174376117?
The canonical SMILES for CID 174376117 is C[N+](C)(C)[Si]C1c2ccccc2-c2ccccc21.[Ca+2].[H-].[H-].
What is the InChIKey of CID 174376117?
The InChIKey is MOJXEUSXDWKPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NSi.Ca.2H/c1-17(2,3)18-16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16;;;/h4-11,16H,1-3H3;;;/q+1;+2;2*-1.
What are the key properties of CID 174376117?
CID 174376117 has a molecular weight of 294.51 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174376117 is sourced from PubChem (CID 174376117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).