2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane

C109H256F4N6O42Si26 — CID 123971927

IUPAC2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane
SMILESC=C(C)C(=O)OCCNC(=O)OCCCCCCCOC(=O)NCC1(C)CCCC(NC(=O)OCC(F)(F)OCCC)C1.C=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH2]C.CCCCOC(=O)NCC1(C)CC(NC(=O)OCCF)CC(C)(C)C1.CF
InChIInChI=1S/C61H171NO29Si26.C29H49F2N3O9.C18H33FN2O4.CH3F/c1-59(2)60(63)65-57-55-62-61(64)66-56-54-58-93(4,5)68-95(8,9)70-97(12,13)72-99(16,17)74-101(20,21)76-103(24,25)78-105(28,29)80-107(32,33)82-109(36,37)84-111(40,41)86-113(44,45)88-115(48,49)90-117(52,53)91-116(50,51)89-114(46,47)87-112(42,43)85-110(38,39)83-108(34,35)81-106(30,31)79-104(26,27)77-102(22,23)75-100(18,19)73-98(14,15)71-96(10,11)69-94(6,7)67-92-3;1-5-15-43-29(30,31)21-42-27(38)34-23-12-11-13-28(4,19-23)20-33-26(37)41-17-10-8-6-7-9-16-40-25(36)32-14-18-39-24(35)22(2)3;1-5-6-8-24-15(22)20-13-18(4)11-14(10-17(2,3)12-18)21-16(23)25-9-7-19;1-2/h1,54-58,92H2,2-53H3,(H,62,64);23H,2,5-21H2,1,3-4H3,(H,32,36)(H,33,37)(H,34,38);14H,5-13H2,1-4H3,(H,20,22)(H,21,23);1H3
InChIKeyDLKJXJLQZQULAX-UHFFFAOYSA-N
MW3129.47 g/mol
LogP28.40
Rot. Bonds86

About 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane

2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane (PubChem CID 123971927) has the molecular formula C109H256F4N6O42Si26 and a molecular weight of 3129.47 g/mol. Its IUPAC name is 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane.

Molecular Properties

Compound Name2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane
PubChem CID123971927
Molecular FormulaC109H256F4N6O42Si26
Molecular Weight3129.47 g/mol
Exact Mass3125.20
IUPAC Name2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane
SMILESC=C(C)C(=O)OCCNC(=O)OCCCCCCCOC(=O)NCC1(C)CCCC(NC(=O)OCC(F)(F)OCCC)C1.C=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH2]C.CCCCOC(=O)NCC1(C)CC(NC(=O)OCCF)CC(C)(C)C1.CF
InChIInChI=1S/C61H171NO29Si26.C29H49F2N3O9.C18H33FN2O4.CH3F/c1-59(2)60(63)65-57-55-62-61(64)66-56-54-58-93(4,5)68-95(8,9)70-97(12,13)72-99(16,17)74-101(20,21)76-103(24,25)78-105(28,29)80-107(32,33)82-109(36,37)84-111(40,41)86-113(44,45)88-115(48,49)90-117(52,53)91-116(50,51)89-114(46,47)87-112(42,43)85-110(38,39)83-108(34,35)81-106(30,31)79-104(26,27)77-102(22,23)75-100(18,19)73-98(14,15)71-96(10,11)69-94(6,7)67-92-3;1-5-15-43-29(30,31)21-42-27(38)34-23-12-11-13-28(4,19-23)20-33-26(37)41-17-10-8-6-7-9-16-40-25(36)32-14-18-39-24(35)22(2)3;1-5-6-8-24-15(22)20-13-18(4)11-14(10-17(2,3)12-18)21-16(23)25-9-7-19;1-2/h1,54-58,92H2,2-53H3,(H,62,64);23H,2,5-21H2,1,3-4H3,(H,32,36)(H,33,37)(H,34,38);14H,5-13H2,1-4H3,(H,20,22)(H,21,23);1H3
InChIKeyDLKJXJLQZQULAX-UHFFFAOYSA-N
XLogP28.40
TPSA522.56 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds86
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003129.47
LogP ≤ 528.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

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-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane with MolForge

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Related Compounds

2-[7-[[5-[[2,2-difluoro-2-(2-fluoroethoxy)ethoxy]carbonylamino]-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;ethane;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 161320452
2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 59245603
2-[2-[3-[[3-[2-[[5-[[4-[2-(2-acetyloxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-3,3,4,4-tetrafluorobutoxy]carbonylamino]-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 169316213
2-[3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 6-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxy]hexanoate
CID 177065437
dodecyl-methyl-bis[2-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxy]ethyl]azanium
CID 102492920
2-[[3-[(ethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 122658963
2-[[3-[[[6,8-dioxo-13-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxy]tridecoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 177065449
heptyl N-[3-[2-(heptoxycarbonylamino)ethyl]-3-methylcyclohexyl]carbamate
CID 58338815
2-butoxyethyl N-[3-[(2-butoxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 67181830
2-[2-[4-[2-[3-[2-[[3-[[2-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 174013434
2-[[3,3,5-trimethyl-5-[[[4-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxymethyl]cyclohexyl]methoxycarbonylamino]methyl]cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 146238395
2-[[3,3,5-trimethyl-5-[(oxiran-2-ylmethoxycarbonylamino)methyl]cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 89121059

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane?
The IUPAC name of 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane (CID 123971927) is 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane.
What is the SMILES notation for 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane?
The canonical SMILES for 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane is C=C(C)C(=O)OCCNC(=O)OCCCCCCCOC(=O)NCC1(C)CCCC(NC(=O)OCC(F)(F)OCCC)C1.C=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH2]C.CCCCOC(=O)NCC1(C)CC(NC(=O)OCCF)CC(C)(C)C1.CF.
What is the InChIKey of 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane?
The InChIKey is DLKJXJLQZQULAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H171NO29Si26.C29H49F2N3O9.C18H33FN2O4.CH3F/c1-59(2)60(63)65-57-55-62-61(64)66-56-54-58-93(4,5)68-95(8,9)70-97(12,13)72-99(16,17)74-101(20,21)76-103(24,25)78-105(28,29)80-107(32,33)82-109(36,37)84-111(40,41)86-113(44,45)88-115(48,49)90-117(52,53)91-116(50,51)89-114(46,47)87-112(42,43)85-110(38,39)83-108(34,35)81-106(30,31)79-104(26,27)77-102(22,23)75-100(18,19)73-98(14,15)71-96(10,11)69-94(6,7)67-92-3;1-5-15-43-29(30,31)21-42-27(38)34-23-12-11-13-28(4,19-23)20-33-26(37)41-17-10-8-6-7-9-16-40-25(36)32-14-18-39-24(35)22(2)3;1-5-6-8-24-15(22)20-13-18(4)11-14(10-17(2,3)12-18)21-16(23)25-9-7-19;1-2/h1,54-58,92H2,2-53H3,(H,62,64);23H,2,5-21H2,1,3-4H3,(H,32,36)(H,33,37)(H,34,38);14H,5-13H2,1-4H3,(H,20,22)(H,21,23);1H3.
What are the key properties of 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane?
2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane has a molecular weight of 3129.47 g/mol, XLogP of 28.40, 86 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[3-[(2,2-difluoro-2-propoxyethoxy)carbonylamino]-1-methylcyclohexyl]methylcarbamoyloxy]heptoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[3-[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(methylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-fluoroethyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate;fluoromethane is sourced from PubChem (CID 123971927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).