3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione

C27H54O5Si2 — CID 54382591

IUPAC3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
SMILESCC[Si](CC)(CC)OC1(O[Si](CC)(CC)CC)CCC(=O)CCCCCCCCCCOC1=O
InChIInChI=1S/C27H54O5Si2/c1-7-33(8-2,9-3)31-27(32-34(10-4,11-5)12-6)23-22-25(28)21-19-17-15-13-14-16-18-20-24-30-26(27)29/h7-24H2,1-6H3
InChIKeyVAZASQUMJLJIFL-UHFFFAOYSA-N
MW514.90 g/mol
LogP8.14
Rot. Bonds10

About 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione

3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione (PubChem CID 54382591) has the molecular formula C27H54O5Si2 and a molecular weight of 514.90 g/mol. Its IUPAC name is 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione.

Molecular Properties

Compound Name3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
PubChem CID54382591
Molecular FormulaC27H54O5Si2
Molecular Weight514.90 g/mol
Exact Mass514.35
IUPAC Name3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
SMILESCC[Si](CC)(CC)OC1(O[Si](CC)(CC)CC)CCC(=O)CCCCCCCCCCOC1=O
InChIInChI=1S/C27H54O5Si2/c1-7-33(8-2,9-3)31-27(32-34(10-4,11-5)12-6)23-22-25(28)21-19-17-15-13-14-16-18-20-24-30-26(27)29/h7-24H2,1-6H3
InChIKeyVAZASQUMJLJIFL-UHFFFAOYSA-N
XLogP8.14
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 ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-O-tert-butyl 1-O-propan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
CID 11135482
methyl 2-[(2S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 134959796
Di(trimethylsiloxy)octadecane-1,18-dioic acid dimethyl ester
CID 129725032
3-Triethylsilyloxy-oxacyclohexadecane-2,6-dione
CID 21703099
Ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate
CID 89405802
Ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate
CID 89405882
2-[3-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate
CID 89941000
8,8-Bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
CID 142781200
methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 173794841
8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
CID 15265820
Methyl 2,9,16-tris[(trimethylsilyl)oxy]hexadecanoate
CID 15600173
cis-(8R,14R)-14-pentyl-8-triethylsilyloxy-oxacyclotetradecane-2,6-dione
CID 44190967

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione?
The IUPAC name of 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione (CID 54382591) is 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione.
What is the SMILES notation for 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione?
The canonical SMILES for 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione is CC[Si](CC)(CC)OC1(O[Si](CC)(CC)CC)CCC(=O)CCCCCCCCCCOC1=O.
What is the InChIKey of 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione?
The InChIKey is VAZASQUMJLJIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O5Si2/c1-7-33(8-2,9-3)31-27(32-34(10-4,11-5)12-6)23-22-25(28)21-19-17-15-13-14-16-18-20-24-30-26(27)29/h7-24H2,1-6H3.
What are the key properties of 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione?
3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione has a molecular weight of 514.90 g/mol, XLogP of 8.14, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione is sourced from PubChem (CID 54382591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).