[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate

C121H245N5O14Si4 — CID 171814531

IUPAC[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
SMILESCCCCCCCCCCCC(=O)OCCCC(CN(CCCCNC(=O)CN(C)CC(=O)NCCCCN(CC(CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC)O[Si](C)(C)C(C)(C)C)CC(CCCCOC(=O)CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)CC(CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C121H245N5O14Si4/c1-28-34-40-46-52-54-56-62-72-91-115(130)134-99-81-89-111(140-144(26,27)121(16,17)18)103-126(101-109(138-142(22,23)119(10,11)12)87-70-64-79-98-136-117(132)107(84-67-59-50-44-38-32-5)85-68-60-51-45-39-33-6)95-77-75-93-123-113(128)105-124(19)104-112(127)122-92-74-76-94-125(102-110(139-143(24,25)120(13,14)15)88-73-80-96-133-114(129)90-71-61-55-53-47-41-35-29-2)100-108(137-141(20,21)118(7,8)9)86-69-63-78-97-135-116(131)106(82-65-57-48-42-36-30-3)83-66-58-49-43-37-31-4/h106-111H,28-105H2,1-27H3,(H,122,127)(H,123,128)
InChIKeyIHXORIGSTSXBJV-UHFFFAOYSA-N
MW2106.66 g/mol
LogP33.81
Rot. Bonds100

About [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate

[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate (PubChem CID 171814531) has the molecular formula C121H245N5O14Si4 and a molecular weight of 2106.66 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate.

Molecular Properties

Compound Name[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
PubChem CID171814531
Molecular FormulaC121H245N5O14Si4
Molecular Weight2106.66 g/mol
Exact Mass2104.77
IUPAC Name[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
SMILESCCCCCCCCCCCC(=O)OCCCC(CN(CCCCNC(=O)CN(C)CC(=O)NCCCCN(CC(CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC)O[Si](C)(C)C(C)(C)C)CC(CCCCOC(=O)CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)CC(CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C121H245N5O14Si4/c1-28-34-40-46-52-54-56-62-72-91-115(130)134-99-81-89-111(140-144(26,27)121(16,17)18)103-126(101-109(138-142(22,23)119(10,11)12)87-70-64-79-98-136-117(132)107(84-67-59-50-44-38-32-5)85-68-60-51-45-39-33-6)95-77-75-93-123-113(128)105-124(19)104-112(127)122-92-74-76-94-125(102-110(139-143(24,25)120(13,14)15)88-73-80-96-133-114(129)90-71-61-55-53-47-41-35-29-2)100-108(137-141(20,21)118(7,8)9)86-69-63-78-97-135-116(131)106(82-65-57-48-42-36-30-3)83-66-58-49-43-37-31-4/h106-111H,28-105H2,1-27H3,(H,122,127)(H,123,128)
InChIKeyIHXORIGSTSXBJV-UHFFFAOYSA-N
XLogP33.81
TPSA210.04 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds100
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002106.66
LogP ≤ 533.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

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 [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate with MolForge

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Related Compounds

[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[5-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]butylamino]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
CID 171814456
[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate
CID 171814510
[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
CID 171814699
5-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]butylamino]-3-hydroxy-3-methyl-5-oxopentanoic acid
CID 171814495
[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate
CID 171814727
heptadecan-9-yl 7-[tert-butyl(dimethyl)silyl]oxy-8-[[2-[tert-butyl(dimethyl)silyl]oxy-6-oxo-6-undecoxyhexyl]-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]amino]octanoate
CID 172557022
tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate
CID 171814668
[7-[(5-dodecanoyloxy-2-hydroxypentyl)-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-6-hydroxyheptyl] 2-octyldecanoate
CID 171814728
7-[3-(dimethylcarbamothioylamino)propyl-(8-octoxy-8-oxooctyl)amino]heptyl 2-pentyloctanoate
CID 155720158
[(Z)-non-2-enyl] 7-[tert-butyl(dimethyl)silyl]oxy-8-[[2-[tert-butyl(dimethyl)silyl]oxy-8-[(Z)-non-2-enoxy]-8-oxooctyl]-(4-hydroxybutyl)amino]octanoate
CID 171814618
4-[[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]amino]butyl pentanoate
CID 137362794
7-[tert-butyl(dimethyl)silyl]oxy-8-[[2-[tert-butyl(dimethyl)silyl]oxy-7-carboxyheptyl]-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]octanoic acid
CID 171814490

Frequently Asked Questions

What is the IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate?
The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate (CID 171814531) is [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate.
What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate?
The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate is CCCCCCCCCCCC(=O)OCCCC(CN(CCCCNC(=O)CN(C)CC(=O)NCCCCN(CC(CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC)O[Si](C)(C)C(C)(C)C)CC(CCCCOC(=O)CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)CC(CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate?
The InChIKey is IHXORIGSTSXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H245N5O14Si4/c1-28-34-40-46-52-54-56-62-72-91-115(130)134-99-81-89-111(140-144(26,27)121(16,17)18)103-126(101-109(138-142(22,23)119(10,11)12)87-70-64-79-98-136-117(132)107(84-67-59-50-44-38-32-5)85-68-60-51-45-39-33-6)95-77-75-93-123-113(128)105-124(19)104-112(127)122-92-74-76-94-125(102-110(139-143(24,25)120(13,14)15)88-73-80-96-133-114(129)90-71-61-55-53-47-41-35-29-2)100-108(137-141(20,21)118(7,8)9)86-69-63-78-97-135-116(131)106(82-65-57-48-42-36-30-3)83-66-58-49-43-37-31-4/h106-111H,28-105H2,1-27H3,(H,122,127)(H,123,128).
What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate?
[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate has a molecular weight of 2106.66 g/mol, XLogP of 33.81, 100 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate is sourced from PubChem (CID 171814531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).