methyl 11-methyl-3-trimethylsilyloxydodecanoate

C17H36O3Si — CID 91741656

IUPACmethyl 11-methyl-3-trimethylsilyloxydodecanoate
SMILESCOC(=O)CC(CCCCCCCC(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O3Si/c1-15(2)12-10-8-7-9-11-13-16(14-17(18)19-3)20-21(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyPEWAYXWOSSXPPI-UHFFFAOYSA-N
MW316.56 g/mol
LogP5.16
Rot. Bonds12

About methyl 11-methyl-3-trimethylsilyloxydodecanoate

methyl 11-methyl-3-trimethylsilyloxydodecanoate (PubChem CID 91741656) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is methyl 11-methyl-3-trimethylsilyloxydodecanoate.

Molecular Properties

Compound Namemethyl 11-methyl-3-trimethylsilyloxydodecanoate
PubChem CID91741656
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Namemethyl 11-methyl-3-trimethylsilyloxydodecanoate
SMILESCOC(=O)CC(CCCCCCCC(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O3Si/c1-15(2)12-10-8-7-9-11-13-16(14-17(18)19-3)20-21(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyPEWAYXWOSSXPPI-UHFFFAOYSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 11688270
(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
Methyl 3-acetyloxy-16-methylheptadecanoate
CID 342515
11-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526770
9-Hydroxy-stearic acid, methyl ester, tBDMS ether
CID 526774
8-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526784
Bis(trimethylsilyl) 3-[(trimethylsilyl)oxy]dodecanedioate
CID 528647
Bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
CID 528648
3-Trimethylsiloxyoctanoic acid, trimethylsilyl ester
CID 553092
Decanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553954

Frequently Asked Questions

What is the IUPAC name of methyl 11-methyl-3-trimethylsilyloxydodecanoate?
The IUPAC name of methyl 11-methyl-3-trimethylsilyloxydodecanoate (CID 91741656) is methyl 11-methyl-3-trimethylsilyloxydodecanoate.
What is the SMILES notation for methyl 11-methyl-3-trimethylsilyloxydodecanoate?
The canonical SMILES for methyl 11-methyl-3-trimethylsilyloxydodecanoate is COC(=O)CC(CCCCCCCC(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 11-methyl-3-trimethylsilyloxydodecanoate?
The InChIKey is PEWAYXWOSSXPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-15(2)12-10-8-7-9-11-13-16(14-17(18)19-3)20-21(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of methyl 11-methyl-3-trimethylsilyloxydodecanoate?
methyl 11-methyl-3-trimethylsilyloxydodecanoate has a molecular weight of 316.56 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-methyl-3-trimethylsilyloxydodecanoate is sourced from PubChem (CID 91741656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).