1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione

C21H42N2O6Si2 — CID 161133697

IUPAC1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione
SMILESCC[Si]1(C)OCCN(C(=O)CCCCC(=O)N2CCO[Si](CC)(CC)OCC2)CCO1
InChIInChI=1S/C21H42N2O6Si2/c1-5-30(4)26-16-12-22(13-17-27-30)20(24)10-8-9-11-21(25)23-14-18-28-31(6-2,7-3)29-19-15-23/h5-19H2,1-4H3
InChIKeyZNLXTKOJXSDQOX-UHFFFAOYSA-N
MW474.75 g/mol
LogP2.87
Rot. Bonds8

About 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione

1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione (PubChem CID 161133697) has the molecular formula C21H42N2O6Si2 and a molecular weight of 474.75 g/mol. Its IUPAC name is 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione.

Molecular Properties

Compound Name1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione
PubChem CID161133697
Molecular FormulaC21H42N2O6Si2
Molecular Weight474.75 g/mol
Exact Mass474.26
IUPAC Name1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione
SMILESCC[Si]1(C)OCCN(C(=O)CCCCC(=O)N2CCO[Si](CC)(CC)OCC2)CCO1
InChIInChI=1S/C21H42N2O6Si2/c1-5-30(4)26-16-12-22(13-17-27-30)20(24)10-8-9-11-21(25)23-14-18-28-31(6-2,7-3)29-19-15-23/h5-19H2,1-4H3
InChIKeyZNLXTKOJXSDQOX-UHFFFAOYSA-N
XLogP2.87
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.75
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione with MolForge

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Related Compounds

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5-hydroxy-1-morpholin-4-ylpentan-1-one
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1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione
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1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
methyl 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644
(5Z,8Z,11Z,14Z,17Z)-1-morpholin-4-ylicosa-5,8,11,14,17-pentaen-1-one
CID 138969257
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione?
The IUPAC name of 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione (CID 161133697) is 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione.
What is the SMILES notation for 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione?
The canonical SMILES for 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione is CC[Si]1(C)OCCN(C(=O)CCCCC(=O)N2CCO[Si](CC)(CC)OCC2)CCO1.
What is the InChIKey of 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione?
The InChIKey is ZNLXTKOJXSDQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O6Si2/c1-5-30(4)26-16-12-22(13-17-27-30)20(24)10-8-9-11-21(25)23-14-18-28-31(6-2,7-3)29-19-15-23/h5-19H2,1-4H3.
What are the key properties of 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione?
1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione has a molecular weight of 474.75 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-6-(2-ethyl-2-methyl-1,3,6,2-dioxazasilocan-6-yl)hexane-1,6-dione is sourced from PubChem (CID 161133697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).