6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)

C88H186O24Si10W2Y2 — CID 161395357

IUPAC6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)
SMILESC.C.CCCCCCCCCCCCCCCCOC(=O)CC(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCC(CC(=O)OCCCCCCOC(=O)CC(CCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCC(CC(=O)O)C(=O)OCCCCCCCCCCCCCCCC)O[Si](C)(C)C)C(=O)O)C(=O)O)O[Si](C)(C)O[Si](C)(C)C)C(=O)O.[W].[W].[Y].[Y]
InChIInChI=1S/C86H178O24Si10.2CH4.2W.2Y/c1-23-25-27-29-31-33-35-37-39-41-43-45-47-51-63-99-80(89)72-75(83(92)93)59-55-67-117(19,105-113(9,10)11)109-119(21,107-115(15,16)103-111(3,4)5)69-56-60-76(84(94)95)73-81(90)100-64-52-49-50-53-65-101-82(91)74-77(85(96)97)61-57-70-120(22,108-116(17,18)104-112(6,7)8)110-118(20,106-114(12,13)14)68-58-62-78(71-79(87)88)86(98)102-66-54-48-46-44-42-40-38-36-34-32-30-28-26-24-2;;;;;;/h75-78H,23-74H2,1-22H3,(H,87,88)(H,92,93)(H,94,95)(H,96,97);2*1H4;;;;
InChIKeyVTNHIDLDXPWPJC-UHFFFAOYSA-N
MW2454.78 g/mol
LogP25.59
Rot. Bonds81

About 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)

6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium) (PubChem CID 161395357) has the molecular formula C88H186O24Si10W2Y2 and a molecular weight of 2454.78 g/mol. Its IUPAC name is 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium).

Molecular Properties

Compound Name6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)
PubChem CID161395357
Molecular FormulaC88H186O24Si10W2Y2
Molecular Weight2454.78 g/mol
Exact Mass2452.82
IUPAC Name6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)
SMILESC.C.CCCCCCCCCCCCCCCCOC(=O)CC(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCC(CC(=O)OCCCCCCOC(=O)CC(CCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCC(CC(=O)O)C(=O)OCCCCCCCCCCCCCCCC)O[Si](C)(C)C)C(=O)O)C(=O)O)O[Si](C)(C)O[Si](C)(C)C)C(=O)O.[W].[W].[Y].[Y]
InChIInChI=1S/C86H178O24Si10.2CH4.2W.2Y/c1-23-25-27-29-31-33-35-37-39-41-43-45-47-51-63-99-80(89)72-75(83(92)93)59-55-67-117(19,105-113(9,10)11)109-119(21,107-115(15,16)103-111(3,4)5)69-56-60-76(84(94)95)73-81(90)100-64-52-49-50-53-65-101-82(91)74-77(85(96)97)61-57-70-120(22,108-116(17,18)104-112(6,7)8)110-118(20,106-114(12,13)14)68-58-62-78(71-79(87)88)86(98)102-66-54-48-46-44-42-40-38-36-34-32-30-28-26-24-2;;;;;;/h75-78H,23-74H2,1-22H3,(H,87,88)(H,92,93)(H,94,95)(H,96,97);2*1H4;;;;
InChIKeyVTNHIDLDXPWPJC-UHFFFAOYSA-N
XLogP25.59
TPSA328.24 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds81
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002454.78
LogP ≤ 525.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium) 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

methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid
CID 159367564
2-(2-decoxy-2-oxoethyl)octanoic acid
CID 174388453
4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium
CID 159333397
dipropyl 2-heptylbutanedioate
CID 174805118
(2R)-2-dodecylbutanedioic acid
CID 98461760
2-hexadecylbutanedioic acid;octadecane
CID 174480572
[dimethyl(trimethylsilyloxy)silyl]oxy-hexyl-methyl-trimethylsilyloxysilane
CID 58022647
ditridecyl 2-[(E)-icos-12-enyl]butanedioate
CID 101276991
ditridecyl 2-[(E)-icos-4-enyl]butanedioate
CID 101276983
ditridecyl 2-[(E)-henicos-9-enyl]butanedioate
CID 101277027
didodecyl 2-[(E)-icos-9-enyl]butanedioate
CID 101276969
didodecyl 2-[(E)-henicos-14-enyl]butanedioate
CID 101277012

Frequently Asked Questions

What is the IUPAC name of 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)?
The IUPAC name of 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium) (CID 161395357) is 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium).
What is the SMILES notation for 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)?
The canonical SMILES for 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium) is C.C.CCCCCCCCCCCCCCCCOC(=O)CC(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCC(CC(=O)OCCCCCCOC(=O)CC(CCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCC(CC(=O)O)C(=O)OCCCCCCCCCCCCCCCC)O[Si](C)(C)C)C(=O)O)C(=O)O)O[Si](C)(C)O[Si](C)(C)C)C(=O)O.[W].[W].[Y].[Y].
What is the InChIKey of 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)?
The InChIKey is VTNHIDLDXPWPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H178O24Si10.2CH4.2W.2Y/c1-23-25-27-29-31-33-35-37-39-41-43-45-47-51-63-99-80(89)72-75(83(92)93)59-55-67-117(19,105-113(9,10)11)109-119(21,107-115(15,16)103-111(3,4)5)69-56-60-76(84(94)95)73-81(90)100-64-52-49-50-53-65-101-82(91)74-77(85(96)97)61-57-70-120(22,108-116(17,18)104-112(6,7)8)110-118(20,106-114(12,13)14)68-58-62-78(71-79(87)88)86(98)102-66-54-48-46-44-42-40-38-36-34-32-30-28-26-24-2;;;;;;/h75-78H,23-74H2,1-22H3,(H,87,88)(H,92,93)(H,94,95)(H,96,97);2*1H4;;;;.
What are the key properties of 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)?
6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium) has a molecular weight of 2454.78 g/mol, XLogP of 25.59, 81 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium) is sourced from PubChem (CID 161395357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).