[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate

C172H226N12O85 — CID 59460239

IUPAC[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCC(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)C(=O)OCC(COCC(COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C172H226N12O85/c1-43-111(185)228-79-159(31,80-229-112(186)44-2)173-141(215)258-67-153(25,68-259-142(216)174-160(32,81-230-113(187)45-3)82-231-114(188)46-4)135(209)252-105-171(106-253-136(210)154(26,69-260-143(217)175-161(33,83-232-115(189)47-5)84-233-116(190)48-6)70-261-144(218)176-162(34,85-234-117(191)49-7)86-235-118(192)50-8,107-254-137(211)155(27,71-262-145(219)177-163(35,87-236-119(193)51-9)88-237-120(194)52-10)72-263-146(220)178-164(36,89-238-121(195)53-11)90-239-122(196)54-12)103-227-104-172(108-255-138(212)156(28,73-264-147(221)179-165(37,91-240-123(197)55-13)92-241-124(198)56-14)74-265-148(222)180-166(38,93-242-125(199)57-15)94-243-126(200)58-16,109-256-139(213)157(29,75-266-149(223)181-167(39,95-244-127(201)59-17)96-245-128(202)60-18)76-267-150(224)182-168(40,97-246-129(203)61-19)98-247-130(204)62-20)110-257-140(214)158(30,77-268-151(225)183-169(41,99-248-131(205)63-21)100-249-132(206)64-22)78-269-152(226)184-170(42,101-250-133(207)65-23)102-251-134(208)66-24/h43-66H,1-24,67-110H2,25-42H3,(H,173,215)(H,174,216)(H,175,217)(H,176,218)(H,177,219)(H,178,220)(H,179,221)(H,180,222)(H,181,223)(H,182,224)(H,183,225)(H,184,226)
InChIKeyFPYBZQUVGICBFJ-UHFFFAOYSA-N
MW3821.70 g/mol
LogP5.59
Rot. Bonds130

About [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate

[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate (PubChem CID 59460239) has the molecular formula C172H226N12O85 and a molecular weight of 3821.70 g/mol. Its IUPAC name is [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate.

Molecular Properties

Compound Name[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate
PubChem CID59460239
Molecular FormulaC172H226N12O85
Molecular Weight3821.70 g/mol
Exact Mass3819.37
IUPAC Name[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCC(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)C(=O)OCC(COCC(COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C172H226N12O85/c1-43-111(185)228-79-159(31,80-229-112(186)44-2)173-141(215)258-67-153(25,68-259-142(216)174-160(32,81-230-113(187)45-3)82-231-114(188)46-4)135(209)252-105-171(106-253-136(210)154(26,69-260-143(217)175-161(33,83-232-115(189)47-5)84-233-116(190)48-6)70-261-144(218)176-162(34,85-234-117(191)49-7)86-235-118(192)50-8,107-254-137(211)155(27,71-262-145(219)177-163(35,87-236-119(193)51-9)88-237-120(194)52-10)72-263-146(220)178-164(36,89-238-121(195)53-11)90-239-122(196)54-12)103-227-104-172(108-255-138(212)156(28,73-264-147(221)179-165(37,91-240-123(197)55-13)92-241-124(198)56-14)74-265-148(222)180-166(38,93-242-125(199)57-15)94-243-126(200)58-16,109-256-139(213)157(29,75-266-149(223)181-167(39,95-244-127(201)59-17)96-245-128(202)60-18)76-267-150(224)182-168(40,97-246-129(203)61-19)98-247-130(204)62-20)110-257-140(214)158(30,77-268-151(225)183-169(41,99-248-131(205)63-21)100-249-132(206)64-22)78-269-152(226)184-170(42,101-250-133(207)65-23)102-251-134(208)66-24/h43-66H,1-24,67-110H2,25-42H3,(H,173,215)(H,174,216)(H,175,217)(H,176,218)(H,177,219)(H,178,220)(H,179,221)(H,180,222)(H,181,223)(H,182,224)(H,183,225)(H,184,226)
InChIKeyFPYBZQUVGICBFJ-UHFFFAOYSA-N
XLogP5.59
TPSA1258.19 Ų
H-Bond Donors12
H-Bond Acceptors85
Rotatable Bonds130
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003821.70
LogP ≤ 55.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1085

Computed Properties (RDKit)

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

Analyze [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate with MolForge

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Related Compounds

[2-methyl-2-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]penta-1,4-dien-2-yloxycarbonylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 159512630
[2-(8-acetyloxyoctoxycarbonylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 145133380
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
dimethyl 2,4-dimethylidene-3-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-3-(prop-2-enoyloxymethyl)pentanedioate
CID 90243979
[2-[[2-[6-[2,2-bis[6-[[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propoxy]carbonylamino]hexylcarbamoyloxymethyl]butoxycarbonylamino]hexylcarbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 170013040
[2-methyl-2-[[4-(methylamino)phenyl]methoxycarbonylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 166497925
[2,2-bis(prop-2-enoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 155625651
[2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate
CID 154506639
[2-(formyloxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] prop-2-enoate
CID 89368794
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[2-[[2-(2-oxobut-3-enoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)-3-[2-[2-[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propoxy]ethoxy]ethoxy]propyl] prop-2-enoate
CID 170037263
[2-methyl-2-[2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]ethoxy]ethoxy]ethylcarbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 59460229

Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate?
The IUPAC name of [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate (CID 59460239) is [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate.
What is the SMILES notation for [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate?
The canonical SMILES for [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate is C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCC(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)C(=O)OCC(COCC(COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C(C)(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate?
The InChIKey is FPYBZQUVGICBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C172H226N12O85/c1-43-111(185)228-79-159(31,80-229-112(186)44-2)173-141(215)258-67-153(25,68-259-142(216)174-160(32,81-230-113(187)45-3)82-231-114(188)46-4)135(209)252-105-171(106-253-136(210)154(26,69-260-143(217)175-161(33,83-232-115(189)47-5)84-233-116(190)48-6)70-261-144(218)176-162(34,85-234-117(191)49-7)86-235-118(192)50-8,107-254-137(211)155(27,71-262-145(219)177-163(35,87-236-119(193)51-9)88-237-120(194)52-10)72-263-146(220)178-164(36,89-238-121(195)53-11)90-239-122(196)54-12)103-227-104-172(108-255-138(212)156(28,73-264-147(221)179-165(37,91-240-123(197)55-13)92-241-124(198)56-14)74-265-148(222)180-166(38,93-242-125(199)57-15)94-243-126(200)58-16,109-256-139(213)157(29,75-266-149(223)181-167(39,95-244-127(201)59-17)96-245-128(202)60-18)76-267-150(224)182-168(40,97-246-129(203)61-19)98-247-130(204)62-20)110-257-140(214)158(30,77-268-151(225)183-169(41,99-248-131(205)63-21)100-249-132(206)64-22)78-269-152(226)184-170(42,101-250-133(207)65-23)102-251-134(208)66-24/h43-66H,1-24,67-110H2,25-42H3,(H,173,215)(H,174,216)(H,175,217)(H,176,218)(H,177,219)(H,178,220)(H,179,221)(H,180,222)(H,181,223)(H,182,224)(H,183,225)(H,184,226).
What are the key properties of [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate?
[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate has a molecular weight of 3821.70 g/mol, XLogP of 5.59, 130 rotatable bonds, 12 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate is sourced from PubChem (CID 59460239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).