(E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid

C141H230O50 — CID 88916547

IUPAC(E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid
SMILESCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)/C=C/C(=O)OCC(COC(=O)C(C)(C)CC)OC(=O)/C=C/C(=O)O
InChIInChI=1S/C141H230O50/c1-5-7-92-168-117(144)68-28-8-48-93-169-118(145)69-29-9-49-94-170-119(146)70-30-10-50-95-171-120(147)71-31-11-51-96-172-121(148)72-32-12-52-97-173-122(149)73-33-13-53-98-174-123(150)74-34-14-54-99-175-124(151)75-35-15-55-100-176-125(152)76-36-16-56-101-177-126(153)77-37-17-57-102-178-127(154)78-38-18-58-103-179-128(155)79-39-19-59-104-180-129(156)80-40-20-60-105-181-130(157)81-41-21-61-106-182-131(158)82-42-22-62-107-183-132(159)83-43-23-63-108-184-133(160)84-44-24-64-109-185-134(161)85-45-25-65-110-186-135(162)86-46-26-66-111-187-136(163)87-47-27-67-112-188-137(164)90-91-138(165)189-113-115(191-139(166)89-88-116(142)143)114-190-140(167)141(3,4)6-2/h88-91,115H,5-87,92-114H2,1-4H3,(H,142,143)/b89-88+,91-90+
InChIKeyLFCFRUSEMGWIDT-IQVQWXOISA-N
MW2725.34 g/mol
LogP24.03
Rot. Bonds134

About (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid

(E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid (PubChem CID 88916547) has the molecular formula C141H230O50 and a molecular weight of 2725.34 g/mol. Its IUPAC name is (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid
PubChem CID88916547
Molecular FormulaC141H230O50
Molecular Weight2725.34 g/mol
Exact Mass2723.55
IUPAC Name(E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid
SMILESCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)/C=C/C(=O)OCC(COC(=O)C(C)(C)CC)OC(=O)/C=C/C(=O)O
InChIInChI=1S/C141H230O50/c1-5-7-92-168-117(144)68-28-8-48-93-169-118(145)69-29-9-49-94-170-119(146)70-30-10-50-95-171-120(147)71-31-11-51-96-172-121(148)72-32-12-52-97-173-122(149)73-33-13-53-98-174-123(150)74-34-14-54-99-175-124(151)75-35-15-55-100-176-125(152)76-36-16-56-101-177-126(153)77-37-17-57-102-178-127(154)78-38-18-58-103-179-128(155)79-39-19-59-104-180-129(156)80-40-20-60-105-181-130(157)81-41-21-61-106-182-131(158)82-42-22-62-107-183-132(159)83-43-23-63-108-184-133(160)84-44-24-64-109-185-134(161)85-45-25-65-110-186-135(162)86-46-26-66-111-187-136(163)87-47-27-67-112-188-137(164)90-91-138(165)189-113-115(191-139(166)89-88-116(142)143)114-190-140(167)141(3,4)6-2/h88-91,115H,5-87,92-114H2,1-4H3,(H,142,143)/b89-88+,91-90+
InChIKeyLFCFRUSEMGWIDT-IQVQWXOISA-N
XLogP24.03
TPSA668.50 Ų
H-Bond Donors1
H-Bond Acceptors49
Rotatable Bonds134
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002725.34
LogP ≤ 524.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid 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

(E)-4-(1-dodecanoyloxy-5-oxohexadecan-2-yl)oxy-4-oxobut-2-enoic acid
CID 168838944
4-O-[2,3-di(tetradecanoyloxy)propyl] 1-O-(2-hydroxyethyl) (E)-but-2-enedioate
CID 153438712
dibutyl decanedioate;diethyl (Z)-but-2-enedioate
CID 175520269
(Z)-but-2-enedioic acid;dihexyl (Z)-but-2-enedioate
CID 162327532
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
bis(2-ethylhexyl) decanedioate;dihexyl (E)-but-2-enedioate
CID 166779844
2,2-dimethylbutanoic acid;[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 158147330
1-O-decyl 4-O-pentan-3-yl (E)-but-2-enedioate
CID 91737504
4-O-pentan-3-yl 1-O-undecyl (E)-but-2-enedioate
CID 91709992
butane;(Z)-4-hexoxy-4-oxobut-2-enoic acid
CID 87152048
tetrasodium;(E)-but-2-enedioic acid;bis(dioctadecyl (E)-but-2-enedioate)
CID 174523297
4-octadecoxy-4-oxobut-2-enoic acid;dihydrate
CID 158282603

Frequently Asked Questions

What is the IUPAC name of (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid (CID 88916547) is (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid is CCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)/C=C/C(=O)OCC(COC(=O)C(C)(C)CC)OC(=O)/C=C/C(=O)O.
What is the InChIKey of (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid?
The InChIKey is LFCFRUSEMGWIDT-IQVQWXOISA-N. The full InChI is InChI=1S/C141H230O50/c1-5-7-92-168-117(144)68-28-8-48-93-169-118(145)69-29-9-49-94-170-119(146)70-30-10-50-95-171-120(147)71-31-11-51-96-172-121(148)72-32-12-52-97-173-122(149)73-33-13-53-98-174-123(150)74-34-14-54-99-175-124(151)75-35-15-55-100-176-125(152)76-36-16-56-101-177-126(153)77-37-17-57-102-178-127(154)78-38-18-58-103-179-128(155)79-39-19-59-104-180-129(156)80-40-20-60-105-181-130(157)81-41-21-61-106-182-131(158)82-42-22-62-107-183-132(159)83-43-23-63-108-184-133(160)84-44-24-64-109-185-134(161)85-45-25-65-110-186-135(162)86-46-26-66-111-187-136(163)87-47-27-67-112-188-137(164)90-91-138(165)189-113-115(191-139(166)89-88-116(142)143)114-190-140(167)141(3,4)6-2/h88-91,115H,5-87,92-114H2,1-4H3,(H,142,143)/b89-88+,91-90+.
What are the key properties of (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid?
(E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid has a molecular weight of 2725.34 g/mol, XLogP of 24.03, 134 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[1-[(E)-4-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(6-butoxy-6-oxohexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-4-oxobut-2-enoyl]oxy-3-(2,2-dimethylbutanoyloxy)propan-2-yl]oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 88916547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).