3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione

C72H148N2O7Si3 — CID 159348129

IUPAC3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione
SMILESCCCCCCCCCCC(C)CN(CCCC(C)C1OC(=O)C(C(C)CCCN(CC(CCCCCCCCCC)O[Si](C)(C)C)CC(CCCCCCCCCC)O[Si](C)(C)C)OC1=O)CC(CCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C72H148N2O7Si3/c1-17-21-25-29-33-37-41-45-51-63(5)59-73(60-66(79-82(8,9)10)54-46-42-38-34-30-26-22-18-2)57-49-52-64(6)69-71(75)78-70(72(76)77-69)65(7)53-50-58-74(61-67(80-83(11,12)13)55-47-43-39-35-31-27-23-19-3)62-68(81-84(14,15)16)56-48-44-40-36-32-28-24-20-4/h63-70H,17-62H2,1-16H3
InChIKeyUMAHVLHEVFEFSI-UHFFFAOYSA-N
MW1238.24 g/mol
LogP21.68
Rot. Bonds60

About 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione

3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione (PubChem CID 159348129) has the molecular formula C72H148N2O7Si3 and a molecular weight of 1238.24 g/mol. Its IUPAC name is 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione.

Molecular Properties

Compound Name3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione
PubChem CID159348129
Molecular FormulaC72H148N2O7Si3
Molecular Weight1238.24 g/mol
Exact Mass1237.06
IUPAC Name3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione
SMILESCCCCCCCCCCC(C)CN(CCCC(C)C1OC(=O)C(C(C)CCCN(CC(CCCCCCCCCC)O[Si](C)(C)C)CC(CCCCCCCCCC)O[Si](C)(C)C)OC1=O)CC(CCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C72H148N2O7Si3/c1-17-21-25-29-33-37-41-45-51-63(5)59-73(60-66(79-82(8,9)10)54-46-42-38-34-30-26-22-18-2)57-49-52-64(6)69-71(75)78-70(72(76)77-69)65(7)53-50-58-74(61-67(80-83(11,12)13)55-47-43-39-35-31-27-23-19-3)62-68(81-84(14,15)16)56-48-44-40-36-32-28-24-20-4/h63-70H,17-62H2,1-16H3
InChIKeyUMAHVLHEVFEFSI-UHFFFAOYSA-N
XLogP21.68
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds60
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.24
LogP ≤ 521.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione with MolForge

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Related Compounds

3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]butyl]-6-[4-[2-[tert-butyl(dimethyl)silyl]oxydodecyl-(2-methyldodecyl)amino]butyl]-1,4-dioxane-2,5-dione
CID 158151802
3-[4-[bis(2-hydroxydodecyl)amino]butyl]-6-[4-[2-hydroxydodecyl(2-sulfanyloxydodecyl)amino]butyl]-1,4-dioxane-2,5-dione
CID 130383917
[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate
CID 159720802
3-[5-[bis(2-hydroxypropyl)amino]pentan-2-yl]-6-methyl-1,4-dioxan-2-one
CID 144970527
3-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]propane-1-thiol
CID 172557041
decan-5-yloxy(trimethyl)silane
CID 553210
3-[4-[bis(2-hydroxydodecyl)amino]butyl]-6-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-1,4-dioxane-2,5-dione
CID 162020847
trimethyl(1-trimethylsilyloxyoctan-3-yloxy)silane
CID 14213504
N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine
CID 171517809
6-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-hydroxyhexanoic acid
CID 140916956
[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate
CID 159720800
6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid
CID 159987025

Frequently Asked Questions

What is the IUPAC name of 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione?
The IUPAC name of 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione (CID 159348129) is 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione.
What is the SMILES notation for 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione?
The canonical SMILES for 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione is CCCCCCCCCCC(C)CN(CCCC(C)C1OC(=O)C(C(C)CCCN(CC(CCCCCCCCCC)O[Si](C)(C)C)CC(CCCCCCCCCC)O[Si](C)(C)C)OC1=O)CC(CCCCCCCCCC)O[Si](C)(C)C.
What is the InChIKey of 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione?
The InChIKey is UMAHVLHEVFEFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H148N2O7Si3/c1-17-21-25-29-33-37-41-45-51-63(5)59-73(60-66(79-82(8,9)10)54-46-42-38-34-30-26-22-18-2)57-49-52-64(6)69-71(75)78-70(72(76)77-69)65(7)53-50-58-74(61-67(80-83(11,12)13)55-47-43-39-35-31-27-23-19-3)62-68(81-84(14,15)16)56-48-44-40-36-32-28-24-20-4/h63-70H,17-62H2,1-16H3.
What are the key properties of 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione?
3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione has a molecular weight of 1238.24 g/mol, XLogP of 21.68, 60 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[bis(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-6-[5-[2-methyldodecyl(2-trimethylsilyloxydodecyl)amino]pentan-2-yl]-1,4-dioxane-2,5-dione is sourced from PubChem (CID 159348129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).