cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane

C243H506 — CID 90701121

IUPACcyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane
SMILESC1CC(C2CCC2)C1.C1CC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC(C)(C)C(C)(C)C.CC(C)C.CC(C)C.CC(C)C(C)(C)CC(C)(C)C.CC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC(C)(C)C1CC1C1(C(C)C)CC1.CC(C)C1CC1.CC(C)C1CC1C1CC1.CC(C)CC(C)(C)C.CC(C)CCC(C)C.CCC
InChIInChI=1S/C143H284.C11H24.C9H16.C8H14.3C8H18.C6H12.4C4H8.2C4H10.C3H6.C3H8.6C2H6/c1-75(2)78(6)80(8)82(10)84(12)86(14)88(16)90(18)92(20)94(22)96(24)98(26)100(28)102(30)103(31)104(32)105(33)106(34)107(35)108(36)109(37)110(38)111(39)112(40)114(42)116(44)118(46)120(48)122(50)124(52)126(54)128(56)130(58)132(60)134(62)136(64)138(66)142(69,70)137(65)135(63)133(61)131(59)129(57)127(55)125(53)123(51)121(49)119(47)117(45)115(43)113(41)101(29)99(27)97(25)95(23)93(21)91(19)89(17)87(15)85(13)83(11)81(9)79(7)77(5)74-141(67,68)139-73-140(139)143(71-72-143)76(3)4;1-9(2)11(6,7)8-10(3,4)5;1-6(2)8-5-9(8)7-3-4-7;1-3-7(4-1)8-5-2-6-8;1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;1-7(2)5-6-8(3)4;1-5(2)6-3-4-6;4*1-2-4-3-1;2*1-4(2)3;1-2-3-1;1-3-2;6*1-2/h75-140H,71-74H2,1-70H3;9H,8H2,1-7H3;6-9H,3-5H2,1-2H3;7-8H,1-6H2;7H,6H2,1-5H3;1-6H3;7-8H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3;4*1-4H2;2*4H,1-3H3;1-3H2;3H2,1-2H3;6*1-2H3
InChIKeyPZFAUPRMOHQUGC-UHFFFAOYSA-N
MW3428.72 g/mol
LogP84.57
Rot. Bonds78

About cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane

cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane (PubChem CID 90701121) has the molecular formula C243H506 and a molecular weight of 3428.72 g/mol. Its IUPAC name is cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane.

Molecular Properties

Compound Namecyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane
PubChem CID90701121
Molecular FormulaC243H506
Molecular Weight3428.72 g/mol
Exact Mass3425.96
IUPAC Namecyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane
SMILESC1CC(C2CCC2)C1.C1CC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC(C)(C)C(C)(C)C.CC(C)C.CC(C)C.CC(C)C(C)(C)CC(C)(C)C.CC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC(C)(C)C1CC1C1(C(C)C)CC1.CC(C)C1CC1.CC(C)C1CC1C1CC1.CC(C)CC(C)(C)C.CC(C)CCC(C)C.CCC
InChIInChI=1S/C143H284.C11H24.C9H16.C8H14.3C8H18.C6H12.4C4H8.2C4H10.C3H6.C3H8.6C2H6/c1-75(2)78(6)80(8)82(10)84(12)86(14)88(16)90(18)92(20)94(22)96(24)98(26)100(28)102(30)103(31)104(32)105(33)106(34)107(35)108(36)109(37)110(38)111(39)112(40)114(42)116(44)118(46)120(48)122(50)124(52)126(54)128(56)130(58)132(60)134(62)136(64)138(66)142(69,70)137(65)135(63)133(61)131(59)129(57)127(55)125(53)123(51)121(49)119(47)117(45)115(43)113(41)101(29)99(27)97(25)95(23)93(21)91(19)89(17)87(15)85(13)83(11)81(9)79(7)77(5)74-141(67,68)139-73-140(139)143(71-72-143)76(3)4;1-9(2)11(6,7)8-10(3,4)5;1-6(2)8-5-9(8)7-3-4-7;1-3-7(4-1)8-5-2-6-8;1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;1-7(2)5-6-8(3)4;1-5(2)6-3-4-6;4*1-2-4-3-1;2*1-4(2)3;1-2-3-1;1-3-2;6*1-2/h75-140H,71-74H2,1-70H3;9H,8H2,1-7H3;6-9H,3-5H2,1-2H3;7-8H,1-6H2;7H,6H2,1-5H3;1-6H3;7-8H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3;4*1-4H2;2*4H,1-3H3;1-3H2;3H2,1-2H3;6*1-2H3
InChIKeyPZFAUPRMOHQUGC-UHFFFAOYSA-N
XLogP84.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds78
Heavy Atoms243
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003428.72
LogP ≤ 584.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane 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 cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane?
The IUPAC name of cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane (CID 90701121) is cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane.
What is the SMILES notation for cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane?
The canonical SMILES for cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane is C1CC(C2CCC2)C1.C1CC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC(C)(C)C(C)(C)C.CC(C)C.CC(C)C.CC(C)C(C)(C)CC(C)(C)C.CC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC(C)(C)C1CC1C1(C(C)C)CC1.CC(C)C1CC1.CC(C)C1CC1C1CC1.CC(C)CC(C)(C)C.CC(C)CCC(C)C.CCC.
What is the InChIKey of cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane?
The InChIKey is PZFAUPRMOHQUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H284.C11H24.C9H16.C8H14.3C8H18.C6H12.4C4H8.2C4H10.C3H6.C3H8.6C2H6/c1-75(2)78(6)80(8)82(10)84(12)86(14)88(16)90(18)92(20)94(22)96(24)98(26)100(28)102(30)103(31)104(32)105(33)106(34)107(35)108(36)109(37)110(38)111(39)112(40)114(42)116(44)118(46)120(48)122(50)124(52)126(54)128(56)130(58)132(60)134(62)136(64)138(66)142(69,70)137(65)135(63)133(61)131(59)129(57)127(55)125(53)123(51)121(49)119(47)117(45)115(43)113(41)101(29)99(27)97(25)95(23)93(21)91(19)89(17)87(15)85(13)83(11)81(9)79(7)77(5)74-141(67,68)139-73-140(139)143(71-72-143)76(3)4;1-9(2)11(6,7)8-10(3,4)5;1-6(2)8-5-9(8)7-3-4-7;1-3-7(4-1)8-5-2-6-8;1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;1-7(2)5-6-8(3)4;1-5(2)6-3-4-6;4*1-2-4-3-1;2*1-4(2)3;1-2-3-1;1-3-2;6*1-2/h75-140H,71-74H2,1-70H3;9H,8H2,1-7H3;6-9H,3-5H2,1-2H3;7-8H,1-6H2;7H,6H2,1-5H3;1-6H3;7-8H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3;4*1-4H2;2*4H,1-3H3;1-3H2;3H2,1-2H3;6*1-2H3.
What are the key properties of cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane?
cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane has a molecular weight of 3428.72 g/mol, XLogP of 84.57, 78 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane is sourced from PubChem (CID 90701121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).