[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

C123H249N5O14Si4 — CID 171814699

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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
SMILESCCCCCCCCCCCC(=O)OCCCC(CN(CCCCN(C)C(=O)CN(C)CC(=O)N(C)CCCCN(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/C123H249N5O14Si4/c1-30-36-42-48-54-56-58-64-74-93-117(132)136-101-83-91-113(142-146(28,29)123(16,17)18)105-128(103-111(140-144(24,25)121(10,11)12)89-72-66-81-100-138-119(134)109(86-69-61-52-46-40-34-5)87-70-62-53-47-41-35-6)97-79-77-95-126(21)115(130)107-124(19)106-114(129)125(20)94-76-78-96-127(104-112(141-145(26,27)122(13,14)15)90-75-82-98-135-116(131)92-73-63-57-55-49-43-37-31-2)102-110(139-143(22,23)120(7,8)9)88-71-65-80-99-137-118(133)108(84-67-59-50-44-38-32-3)85-68-60-51-45-39-33-4/h108-113H,30-107H2,1-29H3
InChIKeyRERSVWDILFGYKA-UHFFFAOYSA-N
MW2134.71 g/mol
LogP34.49
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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate (PubChem CID 171814699) has the molecular formula C123H249N5O14Si4 and a molecular weight of 2134.71 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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
PubChem CID171814699
Molecular FormulaC123H249N5O14Si4
Molecular Weight2134.71 g/mol
Exact Mass2132.80
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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
SMILESCCCCCCCCCCCC(=O)OCCCC(CN(CCCCN(C)C(=O)CN(C)CC(=O)N(C)CCCCN(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/C123H249N5O14Si4/c1-30-36-42-48-54-56-58-64-74-93-117(132)136-101-83-91-113(142-146(28,29)123(16,17)18)105-128(103-111(140-144(24,25)121(10,11)12)89-72-66-81-100-138-119(134)109(86-69-61-52-46-40-34-5)87-70-62-53-47-41-35-6)97-79-77-95-126(21)115(130)107-124(19)106-114(129)125(20)94-76-78-96-127(104-112(141-145(26,27)122(13,14)15)90-75-82-98-135-116(131)92-73-63-57-55-49-43-37-31-2)102-110(139-143(22,23)120(7,8)9)88-71-65-80-99-137-118(133)108(84-67-59-50-44-38-32-3)85-68-60-51-45-39-33-4/h108-113H,30-107H2,1-29H3
InChIKeyRERSVWDILFGYKA-UHFFFAOYSA-N
XLogP34.49
TPSA192.46 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds100
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002134.71
LogP ≤ 534.49
H-Bond Donors ≤ 50
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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
[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
[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-[[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
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
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
8-[[4-[2-[4-[2-[5-[bis[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-ethylbutoxy)-7-oxoheptyl]amino]pentanoyloxy]ethyl]-2,5-dimethylpiperazin-1-yl]ethoxy]-4-oxobutyl]-[2-[tert-butyl(dimethyl)silyl]oxy-6-oxo-6-undecoxyhexyl]amino]-7-[tert-butyl(dimethyl)silyl]oxyoctanoic acid
CID 174058490
heptadecan-9-yl 8-[[4-[2-[4-[2-[5-[bis[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-ethylbutoxy)-7-oxoheptyl]amino]pentanoyloxy]ethyl]-2,5-dimethylpiperazin-1-yl]ethoxy]-4-oxobutyl]-[2-[tert-butyl(dimethyl)silyl]oxy-6-oxo-6-undecoxyhexyl]amino]-7-[tert-butyl(dimethyl)silyl]oxyoctanoate
CID 172557017
[(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-[4-decanoyloxybutyl(2-hydroxyethyl)amino]butyl 2-hexyldecanoate
CID 166170755
12-[12-hexanoyloxydodecyl(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate
CID 177064219
7-[2-hydroxyethyl-(8-octoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate
CID 146564455

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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate (CID 171814699) 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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate is CCCCCCCCCCCC(=O)OCCCC(CN(CCCCN(C)C(=O)CN(C)CC(=O)N(C)CCCCN(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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate?
The InChIKey is RERSVWDILFGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H249N5O14Si4/c1-30-36-42-48-54-56-58-64-74-93-117(132)136-101-83-91-113(142-146(28,29)123(16,17)18)105-128(103-111(140-144(24,25)121(10,11)12)89-72-66-81-100-138-119(134)109(86-69-61-52-46-40-34-5)87-70-62-53-47-41-35-6)97-79-77-95-126(21)115(130)107-124(19)106-114(129)125(20)94-76-78-96-127(104-112(141-145(26,27)122(13,14)15)90-75-82-98-135-116(131)92-73-63-57-55-49-43-37-31-2)102-110(139-143(22,23)120(7,8)9)88-71-65-80-99-137-118(133)108(84-67-59-50-44-38-32-3)85-68-60-51-45-39-33-4/h108-113H,30-107H2,1-29H3.
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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate has a molecular weight of 2134.71 g/mol, XLogP of 34.49, 100 rotatable bonds, 0 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]butyl-methylamino]-2-oxoethyl]-methylamino]acetyl]-methylamino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate is sourced from PubChem (CID 171814699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).