2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate

C127H228N2O45Si — CID 157494160

IUPAC2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate
SMILESC=CC(=O)OCCOC(=O)Cc1cc(CC(=O)OC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(=O)Nc2ccc(C)c(NC(=O)OCCOC(=O)/C=C/C[Si](OC)(OC)OC)c2)ccc1C
InChIInChI=1S/C127H228N2O45Si/c1-38-122(130)139-45-46-141-124(132)52-119-50-118(43-41-85(119)2)51-125(133)174-117(34)84-172-115(32)82-170-113(30)80-168-111(28)78-166-109(26)76-164-107(24)74-162-105(22)72-160-103(20)70-158-101(18)68-156-99(16)66-154-97(14)64-152-95(12)62-150-93(10)60-148-91(8)58-146-89(6)56-144-87(4)54-143-88(5)55-145-90(7)57-147-92(9)59-149-94(11)61-151-96(13)63-153-98(15)65-155-100(17)67-157-102(19)69-159-104(21)71-161-106(23)73-163-108(25)75-165-110(27)77-167-112(29)79-169-114(31)81-171-116(33)83-173-126(134)128-120-44-42-86(3)121(53-120)129-127(135)142-48-47-140-123(131)40-39-49-175(136-35,137-36)138-37/h38-44,50,53,87-117H,1,45-49,51-52,54-84H2,2-37H3,(H,128,134)(H,129,135)/b40-39+
InChIKeyBXPXKOBUGPEELH-XQQUEIPISA-N
MW2531.28 g/mol
LogP16.52
Rot. Bonds112

About 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate

2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate (PubChem CID 157494160) has the molecular formula C127H228N2O45Si and a molecular weight of 2531.28 g/mol. Its IUPAC name is 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate.

Molecular Properties

Compound Name2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate
PubChem CID157494160
Molecular FormulaC127H228N2O45Si
Molecular Weight2531.28 g/mol
Exact Mass2529.54
IUPAC Name2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate
SMILESC=CC(=O)OCCOC(=O)Cc1cc(CC(=O)OC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(=O)Nc2ccc(C)c(NC(=O)OCCOC(=O)/C=C/C[Si](OC)(OC)OC)c2)ccc1C
InChIInChI=1S/C127H228N2O45Si/c1-38-122(130)139-45-46-141-124(132)52-119-50-118(43-41-85(119)2)51-125(133)174-117(34)84-172-115(32)82-170-113(30)80-168-111(28)78-166-109(26)76-164-107(24)74-162-105(22)72-160-103(20)70-158-101(18)68-156-99(16)66-154-97(14)64-152-95(12)62-150-93(10)60-148-91(8)58-146-89(6)56-144-87(4)54-143-88(5)55-145-90(7)57-147-92(9)59-149-94(11)61-151-96(13)63-153-98(15)65-155-100(17)67-157-102(19)69-159-104(21)71-161-106(23)73-163-108(25)75-165-110(27)77-167-112(29)79-169-114(31)81-171-116(33)83-173-126(134)128-120-44-42-86(3)121(53-120)129-127(135)142-48-47-140-123(131)40-39-49-175(136-35,137-36)138-37/h38-44,50,53,87-117H,1,45-49,51-52,54-84H2,2-37H3,(H,128,134)(H,129,135)/b40-39+
InChIKeyBXPXKOBUGPEELH-XQQUEIPISA-N
XLogP16.52
TPSA486.45 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds112
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002531.28
LogP ≤ 516.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate with MolForge

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Related Compounds

2-[[3-(3,3-dimethylbutoxycarbonylamino)-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-(3,3-dimethylbutoxy)-2-oxoethyl]-4-methylphenyl]acetate
CID 164956363
2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate
CID 177169829
bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)
CID 158523163
2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 177169834
2-[[2-methyl-5-[[2-methyl-2-[4-methyl-4-(methylcarbamoyloxy)pentan-2-yl]oxypropanoyl]amino]phenyl]carbamoyloxy]ethyl prop-2-enoate
CID 177169837
2-[4-[1-[2-[[4-methyl-3-(2-methylpropanoylamino)phenyl]carbamoyloxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-[3-(3,3-dimethyl-2-oxobutyl)-4-methylphenyl]acetate
CID 157310369
2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen
CID 177169833
2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate
CID 59049064
[2-[2-[4-methyl-3-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate
CID 157402057
ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 156746910
[2-[[2-[[3-(2,2-difluoroethoxycarbonylamino)-4-methylphenyl]carbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-5-hydroxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 122591437
[2-[[2-methyl-5-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]phenyl]carbamoyloxymethyl]-5-oxo-2-(prop-2-enoyloxymethyl)hept-6-enyl] prop-2-enoate
CID 155621806

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate?
The IUPAC name of 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate (CID 157494160) is 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate.
What is the SMILES notation for 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate?
The canonical SMILES for 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate is C=CC(=O)OCCOC(=O)Cc1cc(CC(=O)OC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(=O)Nc2ccc(C)c(NC(=O)OCCOC(=O)/C=C/C[Si](OC)(OC)OC)c2)ccc1C.
What is the InChIKey of 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate?
The InChIKey is BXPXKOBUGPEELH-XQQUEIPISA-N. The full InChI is InChI=1S/C127H228N2O45Si/c1-38-122(130)139-45-46-141-124(132)52-119-50-118(43-41-85(119)2)51-125(133)174-117(34)84-172-115(32)82-170-113(30)80-168-111(28)78-166-109(26)76-164-107(24)74-162-105(22)72-160-103(20)70-158-101(18)68-156-99(16)66-154-97(14)64-152-95(12)62-150-93(10)60-148-91(8)58-146-89(6)56-144-87(4)54-143-88(5)55-145-90(7)57-147-92(9)59-149-94(11)61-151-96(13)63-153-98(15)65-155-100(17)67-157-102(19)69-159-104(21)71-161-106(23)73-163-108(25)75-165-110(27)77-167-112(29)79-169-114(31)81-171-116(33)83-173-126(134)128-120-44-42-86(3)121(53-120)129-127(135)142-48-47-140-123(131)40-39-49-175(136-35,137-36)138-37/h38-44,50,53,87-117H,1,45-49,51-52,54-84H2,2-37H3,(H,128,134)(H,129,135)/b40-39+.
What are the key properties of 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate?
2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate has a molecular weight of 2531.28 g/mol, XLogP of 16.52, 112 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate is sourced from PubChem (CID 157494160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).