CID 18705632

C22H37NO6Si2 — CID 18705632

IUPAC—
SMILESCCC[Si]OCC.CCO[Si](CCCc1cccc2c1C(=O)NC2=O)(OCC)OCC
InChIInChI=1S/C17H25NO5Si.C5H12OSi/c1-4-21-24(22-5-2,23-6-3)12-8-10-13-9-7-11-14-15(13)17(20)18-16(14)19;1-3-5-7-6-4-2/h7,9,11H,4-6,8,10,12H2,1-3H3,(H,18,19,20);3-5H2,1-2H3
InChIKeyVGRXKJNYKTZRLO-UHFFFAOYSA-N
MW467.71 g/mol
LogP4.02
Rot. Bonds14

About CID 18705632

CID 18705632 (PubChem CID 18705632) has the molecular formula C22H37NO6Si2 and a molecular weight of 467.71 g/mol.

Molecular Properties

Compound NameCID 18705632
PubChem CID18705632
Molecular FormulaC22H37NO6Si2
Molecular Weight467.71 g/mol
Exact Mass467.22
IUPAC Name—
SMILESCCC[Si]OCC.CCO[Si](CCCc1cccc2c1C(=O)NC2=O)(OCC)OCC
InChIInChI=1S/C17H25NO5Si.C5H12OSi/c1-4-21-24(22-5-2,23-6-3)12-8-10-13-9-7-11-14-15(13)17(20)18-16(14)19;1-3-5-7-6-4-2/h7,9,11H,4-6,8,10,12H2,1-3H3,(H,18,19,20);3-5H2,1-2H3
InChIKeyVGRXKJNYKTZRLO-UHFFFAOYSA-N
XLogP4.02
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.71
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18705632?
The IUPAC name of CID 18705632 (CID 18705632) is not available.
What is the SMILES notation for CID 18705632?
The canonical SMILES for CID 18705632 is CCC[Si]OCC.CCO[Si](CCCc1cccc2c1C(=O)NC2=O)(OCC)OCC.
What is the InChIKey of CID 18705632?
The InChIKey is VGRXKJNYKTZRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5Si.C5H12OSi/c1-4-21-24(22-5-2,23-6-3)12-8-10-13-9-7-11-14-15(13)17(20)18-16(14)19;1-3-5-7-6-4-2/h7,9,11H,4-6,8,10,12H2,1-3H3,(H,18,19,20);3-5H2,1-2H3.
What are the key properties of CID 18705632?
CID 18705632 has a molecular weight of 467.71 g/mol, XLogP of 4.02, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18705632 is sourced from PubChem (CID 18705632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).