1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate

C215H328O103 — CID 58195578

IUPAC1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)(C)C(=O)OCCCC(=O)C(C)(C)CC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C215H328O103/c1-57-112(163(217)268-7)62-113(164(218)269-8)63-114(165(219)270-9)64-115(166(220)271-10)65-116(167(221)272-11)66-117(168(222)273-12)67-118(169(223)274-13)68-119(170(224)275-14)69-120(171(225)276-15)70-121(172(226)277-16)71-122(173(227)278-17)72-123(174(228)279-18)73-124(175(229)280-19)74-125(176(230)281-20)75-126(177(231)282-21)76-127(178(232)283-22)77-128(179(233)284-23)78-129(180(234)285-24)79-130(181(235)286-25)80-131(182(236)287-26)81-132(183(237)288-27)82-133(184(238)289-28)83-134(185(239)290-29)84-135(186(240)291-30)85-136(187(241)292-31)86-137(188(242)293-32)87-138(189(243)294-33)88-139(190(244)295-34)89-140(191(245)296-35)90-141(192(246)297-36)91-142(193(247)298-37)92-143(194(248)299-38)93-144(195(249)300-39)94-145(196(250)301-40)95-146(197(251)302-41)96-147(198(252)303-42)97-148(199(253)304-43)98-149(200(254)305-44)99-150(201(255)306-45)100-151(202(256)307-46)101-152(203(257)308-47)102-153(204(258)309-48)103-154(205(259)310-49)104-155(206(260)311-50)105-156(207(261)312-51)106-157(208(262)313-52)107-158(209(263)314-53)108-159(210(264)315-54)109-160(211(265)316-55)110-161(212(266)317-56)111-215(5,6)213(267)318-61-59-60-162(216)214(3,4)58-2/h112-161H,57-111H2,1-56H3
InChIKeyOPDGYHLTULLUGP-UHFFFAOYSA-N
MW4560.89 g/mol
LogP12.72
Rot. Bonds158

About 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate

1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate (PubChem CID 58195578) has the molecular formula C215H328O103 and a molecular weight of 4560.89 g/mol. Its IUPAC name is 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate.

Molecular Properties

Compound Name1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate
PubChem CID58195578
Molecular FormulaC215H328O103
Molecular Weight4560.89 g/mol
Exact Mass4558.04
IUPAC Name1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)(C)C(=O)OCCCC(=O)C(C)(C)CC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C215H328O103/c1-57-112(163(217)268-7)62-113(164(218)269-8)63-114(165(219)270-9)64-115(166(220)271-10)65-116(167(221)272-11)66-117(168(222)273-12)67-118(169(223)274-13)68-119(170(224)275-14)69-120(171(225)276-15)70-121(172(226)277-16)71-122(173(227)278-17)72-123(174(228)279-18)73-124(175(229)280-19)74-125(176(230)281-20)75-126(177(231)282-21)76-127(178(232)283-22)77-128(179(233)284-23)78-129(180(234)285-24)79-130(181(235)286-25)80-131(182(236)287-26)81-132(183(237)288-27)82-133(184(238)289-28)83-134(185(239)290-29)84-135(186(240)291-30)85-136(187(241)292-31)86-137(188(242)293-32)87-138(189(243)294-33)88-139(190(244)295-34)89-140(191(245)296-35)90-141(192(246)297-36)91-142(193(247)298-37)92-143(194(248)299-38)93-144(195(249)300-39)94-145(196(250)301-40)95-146(197(251)302-41)96-147(198(252)303-42)97-148(199(253)304-43)98-149(200(254)305-44)99-150(201(255)306-45)100-151(202(256)307-46)101-152(203(257)308-47)102-153(204(258)309-48)103-154(205(259)310-49)104-155(206(260)311-50)105-156(207(261)312-51)106-157(208(262)313-52)107-158(209(263)314-53)108-159(210(264)315-54)109-160(211(265)316-55)110-161(212(266)317-56)111-215(5,6)213(267)318-61-59-60-162(216)214(3,4)58-2/h112-161H,57-111H2,1-56H3
InChIKeyOPDGYHLTULLUGP-UHFFFAOYSA-N
XLogP12.72
TPSA1358.37 Ų
H-Bond Donors
H-Bond Acceptors103
Rotatable Bonds158
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004560.89
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10103

Analyze 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate with MolForge

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Related Compounds

1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 5-O-methyl 4-ethyl-2,2-dimethylpentanedioate
CID 22090165
1-O-dodecyl 5-O-ethyl 4-ethyl-2,2-dimethylpentanedioate
CID 59893524
4-oxopentyl 2,2-dimethylbutanoate
CID 167427927
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
6-O-[3-(2,2-dimethylbutanoyloxy)propyl] 1-O-methyl 2-methylhexanedioate;8,8,8-trifluoro-3,3-dimethyloctan-4-one
CID 160550362
5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid
CID 140961640
butyl 2,2-dimethylbutanoate;2-(2,2-dimethylbutanoyloxy)ethyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;bromide
CID 159358971
pentyl 2,2-dimethylbutanoate
CID 59940538
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
3-sulfanylpropyl 2,2-dimethylbutanoate
CID 89322969
tridecyl 2,2-dimethylbutanoate
CID 59651442
[4-oxo-4-(2,3,3-trimethylbutan-2-yloxy)butyl] 2,2-dimethylbutanoate
CID 59819219

Frequently Asked Questions

What is the IUPAC name of 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate?
The IUPAC name of 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate (CID 58195578) is 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate.
What is the SMILES notation for 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate?
The canonical SMILES for 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate is CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)(C)C(=O)OCCCC(=O)C(C)(C)CC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC.
What is the InChIKey of 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate?
The InChIKey is OPDGYHLTULLUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C215H328O103/c1-57-112(163(217)268-7)62-113(164(218)269-8)63-114(165(219)270-9)64-115(166(220)271-10)65-116(167(221)272-11)66-117(168(222)273-12)67-118(169(223)274-13)68-119(170(224)275-14)69-120(171(225)276-15)70-121(172(226)277-16)71-122(173(227)278-17)72-123(174(228)279-18)73-124(175(229)280-19)74-125(176(230)281-20)75-126(177(231)282-21)76-127(178(232)283-22)77-128(179(233)284-23)78-129(180(234)285-24)79-130(181(235)286-25)80-131(182(236)287-26)81-132(183(237)288-27)82-133(184(238)289-28)83-134(185(239)290-29)84-135(186(240)291-30)85-136(187(241)292-31)86-137(188(242)293-32)87-138(189(243)294-33)88-139(190(244)295-34)89-140(191(245)296-35)90-141(192(246)297-36)91-142(193(247)298-37)92-143(194(248)299-38)93-144(195(249)300-39)94-145(196(250)301-40)95-146(197(251)302-41)96-147(198(252)303-42)97-148(199(253)304-43)98-149(200(254)305-44)99-150(201(255)306-45)100-151(202(256)307-46)101-152(203(257)308-47)102-153(204(258)309-48)103-154(205(259)310-49)104-155(206(260)311-50)105-156(207(261)312-51)106-157(208(262)313-52)107-158(209(263)314-53)108-159(210(264)315-54)109-160(211(265)316-55)110-161(212(266)317-56)111-215(5,6)213(267)318-61-59-60-162(216)214(3,4)58-2/h112-161H,57-111H2,1-56H3.
What are the key properties of 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate?
1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate has a molecular weight of 4560.89 g/mol, XLogP of 12.72, 158 rotatable bonds, 0 hydrogen bond donors, and 103 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate is sourced from PubChem (CID 58195578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).