3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate

C80H216O15Si12 — CID 158484150

IUPAC3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCCCCCCCC(C(=O)OC)[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCCCCC)O[Si](C)(C)O[Si](C)(C)C.CCCCCCCCCC(C(C)=O)[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCCCCC)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C32H76O8Si6.C32H76O7Si6.16CH4/c1-16-18-20-21-22-23-24-27-31(32(33)34-3)46(15,39-44(12,13)37-42(7,8)9)40-45(14,30-26-29-35-28-25-19-17-2)38-43(10,11)36-41(4,5)6;1-16-18-20-21-22-23-24-27-32(31(3)33)45(15,38-43(12,13)36-41(7,8)9)39-44(14,30-26-29-34-28-25-19-17-2)37-42(10,11)35-40(4,5)6;;;;;;;;;;;;;;;;/h31H,16-30H2,1-15H3;32H,16-30H2,1-15H3;16*1H4
InChIKeyHHWQBXJWNIZXIU-UHFFFAOYSA-N
MW1755.62 g/mol
LogP31.73
Rot. Bonds56

About 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate

3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate (PubChem CID 158484150) has the molecular formula C80H216O15Si12 and a molecular weight of 1755.62 g/mol. Its IUPAC name is 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate.

Molecular Properties

Compound Name3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate
PubChem CID158484150
Molecular FormulaC80H216O15Si12
Molecular Weight1755.62 g/mol
Exact Mass1753.34
IUPAC Name3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCCCCCCCC(C(=O)OC)[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCCCCC)O[Si](C)(C)O[Si](C)(C)C.CCCCCCCCCC(C(C)=O)[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCCCCC)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C32H76O8Si6.C32H76O7Si6.16CH4/c1-16-18-20-21-22-23-24-27-31(32(33)34-3)46(15,39-44(12,13)37-42(7,8)9)40-45(14,30-26-29-35-28-25-19-17-2)38-43(10,11)36-41(4,5)6;1-16-18-20-21-22-23-24-27-32(31(3)33)45(15,38-43(12,13)36-41(7,8)9)39-44(14,30-26-29-34-28-25-19-17-2)37-42(10,11)35-40(4,5)6;;;;;;;;;;;;;;;;/h31H,16-30H2,1-15H3;32H,16-30H2,1-15H3;16*1H4
InChIKeyHHWQBXJWNIZXIU-UHFFFAOYSA-N
XLogP31.73
TPSA154.13 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds56
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001755.62
LogP ≤ 531.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate with MolForge

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Related Compounds

methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
2,3-Bis[(trimethylsilyl)oxy]propyl icosanoate
CID 537899
2,3-Bis(trimethylsilyloxy)propyl hexadecanoate
CID 552033
Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 552917
2,3-Bis[(trimethylsilyl)oxy]propyl stearate
CID 553936
1,2-Dipalmitoyl-3-trimethylsilyl-glycerol
CID 628580
2,3-Bis[(trimethylsilyl)oxy]propyl dodecanoate
CID 628819
1,3-Dipalmitin trimethylsilyl ether
CID 632872
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553462
1,3-Bis(10-carbomethoxydecyl)tetramethyldisiloxane
CID 22278210
2,3-Bis[(trimethylsilyl)oxy]propyl octanoate
CID 552892
Decanoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 552918

Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate?
The IUPAC name of 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate (CID 158484150) is 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate.
What is the SMILES notation for 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate?
The canonical SMILES for 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCCCCCCCC(C(=O)OC)[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCCCCC)O[Si](C)(C)O[Si](C)(C)C.CCCCCCCCCC(C(C)=O)[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCCCCC)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate?
The InChIKey is HHWQBXJWNIZXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H76O8Si6.C32H76O7Si6.16CH4/c1-16-18-20-21-22-23-24-27-31(32(33)34-3)46(15,39-44(12,13)37-42(7,8)9)40-45(14,30-26-29-35-28-25-19-17-2)38-43(10,11)36-41(4,5)6;1-16-18-20-21-22-23-24-27-32(31(3)33)45(15,38-43(12,13)36-41(7,8)9)39-44(14,30-26-29-34-28-25-19-17-2)37-42(10,11)35-40(4,5)6;;;;;;;;;;;;;;;;/h31H,16-30H2,1-15H3;32H,16-30H2,1-15H3;16*1H4.
What are the key properties of 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate?
3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate has a molecular weight of 1755.62 g/mol, XLogP of 31.73, 56 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]dodecan-2-one;methane;methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3-pentoxypropyl)silyl]oxy-methylsilyl]undecanoate is sourced from PubChem (CID 158484150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).