CID 57006910

C16H22NO4Si — CID 57006910

IUPAC—
SMILESCCCCN1C(=O)c2ccc([Si](OCC)OCC)cc2C1=O
InChIInChI=1S/C16H22NO4Si/c1-4-7-10-17-15(18)13-9-8-12(11-14(13)16(17)19)22(20-5-2)21-6-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyWXDDVSXDINHUIE-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.85
Rot. Bonds8

About CID 57006910

CID 57006910 (PubChem CID 57006910) has the molecular formula C16H22NO4Si and a molecular weight of 320.44 g/mol.

Molecular Properties

Compound NameCID 57006910
PubChem CID57006910
Molecular FormulaC16H22NO4Si
Molecular Weight320.44 g/mol
Exact Mass320.13
IUPAC Name—
SMILESCCCCN1C(=O)c2ccc([Si](OCC)OCC)cc2C1=O
InChIInChI=1S/C16H22NO4Si/c1-4-7-10-17-15(18)13-9-8-12(11-14(13)16(17)19)22(20-5-2)21-6-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyWXDDVSXDINHUIE-UHFFFAOYSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-(methylamino)isoindole-1,3-dione
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5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
5,6-dibromo-2-butylisoindole-1,3-dione
CID 167440985
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-amino-2-decylisoindole-1,3-dione
CID 132514130
5-fluoro-2-nonylisoindole-1,3-dione
CID 3089281
2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
7,18-dibutyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 139206036
5-[2-(aminomethyl)-3-(2-butyl-1,3-dioxoisoindol-5-yl)oxy-2-[(2-butyl-1,3-dioxoisoindol-5-yl)oxymethyl]propoxy]-2-butylisoindole-1,3-dione
CID 118492473
3-(2-butyl-1,3-dioxoisoindol-5-yl)propanoic acid
CID 58822045
(1,3-dioxoisoindol-2-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 3564306

Frequently Asked Questions

What is the IUPAC name of CID 57006910?
The IUPAC name of CID 57006910 (CID 57006910) is not available.
What is the SMILES notation for CID 57006910?
The canonical SMILES for CID 57006910 is CCCCN1C(=O)c2ccc([Si](OCC)OCC)cc2C1=O.
What is the InChIKey of CID 57006910?
The InChIKey is WXDDVSXDINHUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO4Si/c1-4-7-10-17-15(18)13-9-8-12(11-14(13)16(17)19)22(20-5-2)21-6-3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of CID 57006910?
CID 57006910 has a molecular weight of 320.44 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57006910 is sourced from PubChem (CID 57006910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).