butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate

C292H501N2O98P — CID 159497328

IUPACbutyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
SMILESCCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCP(=O)(O)O.CCCCC(CC)COC(=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)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)NCCOCCOC(=O)C(C)(C)CC.CCCCOC(=O)CCCCCOC(=O)NCCOC(=O)C(C)(C)CC
InChIInChI=1S/C259H437NO85.C19H35NO6.C8H17O5P.C6H12O2/c1-6-9-130-216(7-2)215-345-256(300)170-89-48-128-210-342-254(298)168-87-46-126-208-340-252(296)166-85-44-124-206-338-250(294)164-83-42-122-204-336-248(292)162-81-40-120-202-334-246(290)160-79-38-118-200-332-244(288)158-77-36-116-198-330-242(286)156-75-34-114-196-328-240(284)154-73-32-112-194-326-238(282)152-71-30-110-192-324-236(280)150-69-28-108-190-322-234(278)148-67-26-106-188-320-232(276)146-65-24-104-186-318-230(274)144-63-22-102-184-316-228(272)142-61-20-100-182-314-226(270)140-59-18-98-180-312-224(268)138-57-16-96-178-310-222(266)136-55-14-94-176-308-220(264)134-53-12-92-174-306-218(262)132-51-10-90-172-304-217(261)131-50-11-91-173-305-219(263)133-52-13-93-175-307-221(265)135-54-15-95-177-309-223(267)137-56-17-97-179-311-225(269)139-58-19-99-181-313-227(271)141-60-21-101-183-315-229(273)143-62-23-103-185-317-231(275)145-64-25-105-187-319-233(277)147-66-27-107-189-321-235(279)149-68-29-109-191-323-237(281)151-70-31-111-193-325-239(283)153-72-33-113-195-327-241(285)155-74-35-115-197-329-243(287)157-76-37-117-199-331-245(289)159-78-39-119-201-333-247(291)161-80-41-121-203-335-249(293)163-82-43-123-205-337-251(295)165-84-45-125-207-339-253(297)167-86-47-127-209-341-255(299)169-88-49-129-211-344-258(302)260-171-212-303-213-214-343-257(301)259(4,5)8-3;1-5-7-13-24-16(21)11-9-8-10-14-26-18(23)20-12-15-25-17(22)19(3,4)6-2;1-4-8(2,3)7(9)13-5-6-14(10,11)12;1-4-6(2,3)5(7)8/h216H,6-215H2,1-5H3,(H,260,302);5-15H2,1-4H3,(H,20,23);4-6H2,1-3H3,(H2,10,11,12);4H2,1-3H3,(H,7,8)
InChIKeyLYYHPGJHAQJNLA-UHFFFAOYSA-N
MW5639.11 g/mol
LogP54.32
Rot. Bonds275

About butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate

butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate (PubChem CID 159497328) has the molecular formula C292H501N2O98P and a molecular weight of 5639.11 g/mol. Its IUPAC name is butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate.

Molecular Properties

Compound Namebutyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
PubChem CID159497328
Molecular FormulaC292H501N2O98P
Molecular Weight5639.11 g/mol
Exact Mass5635.40
IUPAC Namebutyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
SMILESCCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCP(=O)(O)O.CCCCC(CC)COC(=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)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)NCCOCCOC(=O)C(C)(C)CC.CCCCOC(=O)CCCCCOC(=O)NCCOC(=O)C(C)(C)CC
InChIInChI=1S/C259H437NO85.C19H35NO6.C8H17O5P.C6H12O2/c1-6-9-130-216(7-2)215-345-256(300)170-89-48-128-210-342-254(298)168-87-46-126-208-340-252(296)166-85-44-124-206-338-250(294)164-83-42-122-204-336-248(292)162-81-40-120-202-334-246(290)160-79-38-118-200-332-244(288)158-77-36-116-198-330-242(286)156-75-34-114-196-328-240(284)154-73-32-112-194-326-238(282)152-71-30-110-192-324-236(280)150-69-28-108-190-322-234(278)148-67-26-106-188-320-232(276)146-65-24-104-186-318-230(274)144-63-22-102-184-316-228(272)142-61-20-100-182-314-226(270)140-59-18-98-180-312-224(268)138-57-16-96-178-310-222(266)136-55-14-94-176-308-220(264)134-53-12-92-174-306-218(262)132-51-10-90-172-304-217(261)131-50-11-91-173-305-219(263)133-52-13-93-175-307-221(265)135-54-15-95-177-309-223(267)137-56-17-97-179-311-225(269)139-58-19-99-181-313-227(271)141-60-21-101-183-315-229(273)143-62-23-103-185-317-231(275)145-64-25-105-187-319-233(277)147-66-27-107-189-321-235(279)149-68-29-109-191-323-237(281)151-70-31-111-193-325-239(283)153-72-33-113-195-327-241(285)155-74-35-115-197-329-243(287)157-76-37-117-199-331-245(289)159-78-39-119-201-333-247(291)161-80-41-121-203-335-249(293)163-82-43-123-205-337-251(295)165-84-45-125-207-339-253(297)167-86-47-127-209-341-255(299)169-88-49-129-211-344-258(302)260-171-212-303-213-214-343-257(301)259(4,5)8-3;1-5-7-13-24-16(21)11-9-8-10-14-26-18(23)20-12-15-25-17(22)19(3,4)6-2;1-4-8(2,3)7(9)13-5-6-14(10,11)12;1-4-6(2,3)5(7)8/h216H,6-215H2,1-5H3,(H,260,302);5-15H2,1-4H3,(H,20,23);4-6H2,1-3H3,(H2,10,11,12);4H2,1-3H3,(H,7,8)
InChIKeyLYYHPGJHAQJNLA-UHFFFAOYSA-N
XLogP54.32
TPSA1337.92 Ų
H-Bond Donors5
H-Bond Acceptors95
Rotatable Bonds275
Heavy Atoms393
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005639.11
LogP ≤ 554.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1095

Analyze butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate?
The IUPAC name of butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate (CID 159497328) is butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate.
What is the SMILES notation for butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate?
The canonical SMILES for butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate is CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCP(=O)(O)O.CCCCC(CC)COC(=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)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)NCCOCCOC(=O)C(C)(C)CC.CCCCOC(=O)CCCCCOC(=O)NCCOC(=O)C(C)(C)CC.
What is the InChIKey of butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate?
The InChIKey is LYYHPGJHAQJNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C259H437NO85.C19H35NO6.C8H17O5P.C6H12O2/c1-6-9-130-216(7-2)215-345-256(300)170-89-48-128-210-342-254(298)168-87-46-126-208-340-252(296)166-85-44-124-206-338-250(294)164-83-42-122-204-336-248(292)162-81-40-120-202-334-246(290)160-79-38-118-200-332-244(288)158-77-36-116-198-330-242(286)156-75-34-114-196-328-240(284)154-73-32-112-194-326-238(282)152-71-30-110-192-324-236(280)150-69-28-108-190-322-234(278)148-67-26-106-188-320-232(276)146-65-24-104-186-318-230(274)144-63-22-102-184-316-228(272)142-61-20-100-182-314-226(270)140-59-18-98-180-312-224(268)138-57-16-96-178-310-222(266)136-55-14-94-176-308-220(264)134-53-12-92-174-306-218(262)132-51-10-90-172-304-217(261)131-50-11-91-173-305-219(263)133-52-13-93-175-307-221(265)135-54-15-95-177-309-223(267)137-56-17-97-179-311-225(269)139-58-19-99-181-313-227(271)141-60-21-101-183-315-229(273)143-62-23-103-185-317-231(275)145-64-25-105-187-319-233(277)147-66-27-107-189-321-235(279)149-68-29-109-191-323-237(281)151-70-31-111-193-325-239(283)153-72-33-113-195-327-241(285)155-74-35-115-197-329-243(287)157-76-37-117-199-331-245(289)159-78-39-119-201-333-247(291)161-80-41-121-203-335-249(293)163-82-43-123-205-337-251(295)165-84-45-125-207-339-253(297)167-86-47-127-209-341-255(299)169-88-49-129-211-344-258(302)260-171-212-303-213-214-343-257(301)259(4,5)8-3;1-5-7-13-24-16(21)11-9-8-10-14-26-18(23)20-12-15-25-17(22)19(3,4)6-2;1-4-8(2,3)7(9)13-5-6-14(10,11)12;1-4-6(2,3)5(7)8/h216H,6-215H2,1-5H3,(H,260,302);5-15H2,1-4H3,(H,20,23);4-6H2,1-3H3,(H2,10,11,12);4H2,1-3H3,(H,7,8).
What are the key properties of butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate?
butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate has a molecular weight of 5639.11 g/mol, XLogP of 54.32, 275 rotatable bonds, 5 hydrogen bond donors, and 95 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2,2-dimethylbutanoic acid;2-(2,2-dimethylbutanoyloxy)ethylphosphonic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-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-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate is sourced from PubChem (CID 159497328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).