ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane

C36H76O12Si2 — CID 158358832

IUPACethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane
SMILESC.C.C.CCOC(=O)C(CCC(CCC(C)OC(=O)CCCC[Si](C)(OC)OC)OC(=O)CC)CC(C)OC(=O)CCCC[Si](C)(OC)OC
InChIInChI=1S/C33H64O12Si2.3CH4/c1-11-30(34)45-29(21-19-26(3)43-31(35)17-13-15-23-46(9,38-5)39-6)22-20-28(33(37)42-12-2)25-27(4)44-32(36)18-14-16-24-47(10,40-7)41-8;;;/h26-29H,11-25H2,1-10H3;3*1H4
InChIKeyGTFJGZRGAWTHCW-UHFFFAOYSA-N
MW757.16 g/mol
LogP8.28
Rot. Bonds28

About ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane

ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane (PubChem CID 158358832) has the molecular formula C36H76O12Si2 and a molecular weight of 757.16 g/mol. Its IUPAC name is ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane.

Molecular Properties

Compound Nameethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane
PubChem CID158358832
Molecular FormulaC36H76O12Si2
Molecular Weight757.16 g/mol
Exact Mass756.49
IUPAC Nameethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane
SMILESC.C.C.CCOC(=O)C(CCC(CCC(C)OC(=O)CCCC[Si](C)(OC)OC)OC(=O)CC)CC(C)OC(=O)CCCC[Si](C)(OC)OC
InChIInChI=1S/C33H64O12Si2.3CH4/c1-11-30(34)45-29(21-19-26(3)43-31(35)17-13-15-23-46(9,38-5)39-6)22-20-28(33(37)42-12-2)25-27(4)44-32(36)18-14-16-24-47(10,40-7)41-8;;;/h26-29H,11-25H2,1-10H3;3*1H4
InChIKeyGTFJGZRGAWTHCW-UHFFFAOYSA-N
XLogP8.28
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.16
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane with MolForge

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Related Compounds

(3R,5S)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-methyloxolan-2-one
CID 44604624
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
methyl (3R)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383532
methyl (3S)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383533
methyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 101383534
Methyl (2rs,5s)-5-[t-butyl(dimethyl)silyloxy]-2-hexyl-3-oxodecanoate
CID 129750920
Methyl (2rs,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-2-hexyl-3-oxohexadecanoate
CID 129758585
ethyl (4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoate
CID 134845346
methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate
CID 134872147
methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 135001185
(3S,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylnonanoic acid
CID 138980519
(4S,6S)-6-(4-((tert-butyldimethylsilyl)oxy)butyl)-4-methyltetrahydro-2H-pyran-2-one
CID 145865227

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane?
The IUPAC name of ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane (CID 158358832) is ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane.
What is the SMILES notation for ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane?
The canonical SMILES for ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane is C.C.C.CCOC(=O)C(CCC(CCC(C)OC(=O)CCCC[Si](C)(OC)OC)OC(=O)CC)CC(C)OC(=O)CCCC[Si](C)(OC)OC.
What is the InChIKey of ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane?
The InChIKey is GTFJGZRGAWTHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64O12Si2.3CH4/c1-11-30(34)45-29(21-19-26(3)43-31(35)17-13-15-23-46(9,38-5)39-6)22-20-28(33(37)42-12-2)25-27(4)44-32(36)18-14-16-24-47(10,40-7)41-8;;;/h26-29H,11-25H2,1-10H3;3*1H4.
What are the key properties of ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane?
ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane has a molecular weight of 757.16 g/mol, XLogP of 8.28, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate;methane is sourced from PubChem (CID 158358832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).