4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione

C27H54O5Si2 — CID 91350030

IUPAC4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
SMILESCC[Si](CC)(CC)OC1CCCCCCCCOC(=O)CC(O[Si](CC)(CC)CC)CC(=O)C1
InChIInChI=1S/C27H54O5Si2/c1-7-33(8-2,9-3)31-25-19-17-15-13-14-16-18-20-30-27(29)23-26(22-24(28)21-25)32-34(10-4,11-5)12-6/h25-26H,7-23H2,1-6H3
InChIKeyVQOVDRVEEGCNDK-UHFFFAOYSA-N
MW514.90 g/mol
LogP7.79
Rot. Bonds10

About 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione

4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione (PubChem CID 91350030) has the molecular formula C27H54O5Si2 and a molecular weight of 514.90 g/mol. Its IUPAC name is 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione.

Molecular Properties

Compound Name4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
PubChem CID91350030
Molecular FormulaC27H54O5Si2
Molecular Weight514.90 g/mol
Exact Mass514.35
IUPAC Name4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
SMILESCC[Si](CC)(CC)OC1CCCCCCCCOC(=O)CC(O[Si](CC)(CC)CC)CC(=O)C1
InChIInChI=1S/C27H54O5Si2/c1-7-33(8-2,9-3)31-25-19-17-15-13-14-16-18-20-30-27(29)23-26(22-24(28)21-25)32-34(10-4,11-5)12-6/h25-26H,7-23H2,1-6H3
InChIKeyVQOVDRVEEGCNDK-UHFFFAOYSA-N
XLogP7.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.90
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
dimethyl (3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134930481
dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134934797
3,6-Epoxydodecanedioic acid, diTMS
CID 6430473
3,6-Epoxytetradecanedioic acid, diTMS
CID 6430474
methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
CID 10761852
methyl (3R)-4-[(2S,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
CID 15259814
methyl (3R)-4-[(2S,3S)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
CID 15259815
2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate
CID 60010217

Frequently Asked Questions

What is the IUPAC name of 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione?
The IUPAC name of 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione (CID 91350030) is 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione.
What is the SMILES notation for 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione?
The canonical SMILES for 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione is CC[Si](CC)(CC)OC1CCCCCCCCOC(=O)CC(O[Si](CC)(CC)CC)CC(=O)C1.
What is the InChIKey of 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione?
The InChIKey is VQOVDRVEEGCNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O5Si2/c1-7-33(8-2,9-3)31-25-19-17-15-13-14-16-18-20-30-27(29)23-26(22-24(28)21-25)32-34(10-4,11-5)12-6/h25-26H,7-23H2,1-6H3.
What are the key properties of 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione?
4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione has a molecular weight of 514.90 g/mol, XLogP of 7.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione is sourced from PubChem (CID 91350030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).