2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane

C162H326 — CID 123517328

IUPAC2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
SMILESCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C162H326/c1-83(2)85(5)87(7)89(9)91(11)93(13)95(15)97(17)99(19)101(21)103(23)105(25)107(27)109(29)111(31)113(33)115(35)117(37)119(39)121(41)123(43)125(45)127(47)129(49)131(51)133(53)135(55)137(57)139(59)141(61)143(63)145(65)147(67)149(69)151(71)153(73)155(75)157(77)159(79)161(81)162(82)160(80)158(78)156(76)154(74)152(72)150(70)148(68)146(66)144(64)142(62)140(60)138(58)136(56)134(54)132(52)130(50)128(48)126(46)124(44)122(42)120(40)118(38)116(36)114(34)112(32)110(30)108(28)106(26)104(24)102(22)100(20)98(18)96(16)94(14)92(12)90(10)88(8)86(6)84(3)4/h83-162H,1-82H3
InChIKeyVYNHCEHXSWRDNT-UHFFFAOYSA-N
MW2274.39 g/mol
LogP51.91
Rot. Bonds79

About 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane

2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane (PubChem CID 123517328) has the molecular formula C162H326 and a molecular weight of 2274.39 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane.

Molecular Properties

Compound Name2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
PubChem CID123517328
Molecular FormulaC162H326
Molecular Weight2274.39 g/mol
Exact Mass2272.55
IUPAC Name2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
SMILESCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C162H326/c1-83(2)85(5)87(7)89(9)91(11)93(13)95(15)97(17)99(19)101(21)103(23)105(25)107(27)109(29)111(31)113(33)115(35)117(37)119(39)121(41)123(43)125(45)127(47)129(49)131(51)133(53)135(55)137(57)139(59)141(61)143(63)145(65)147(67)149(69)151(71)153(73)155(75)157(77)159(79)161(81)162(82)160(80)158(78)156(76)154(74)152(72)150(70)148(68)146(66)144(64)142(62)140(60)138(58)136(56)134(54)132(52)130(50)128(48)126(46)124(44)122(42)120(40)118(38)116(36)114(34)112(32)110(30)108(28)106(26)104(24)102(22)100(20)98(18)96(16)94(14)92(12)90(10)88(8)86(6)84(3)4/h83-162H,1-82H3
InChIKeyVYNHCEHXSWRDNT-UHFFFAOYSA-N
XLogP51.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds79
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002274.39
LogP ≤ 551.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane with MolForge

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

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Related Compounds

Pristane
CID 15979
Squalane
CID 8089
Phytane
CID 12523
Farnesane
CID 19773
4,5-Dimethylnonane
CID 86541
Isoeicosane
CID 137081
Decylcyclohexane
CID 15713
(1R,2S)-1-heptyl-2-octylcyclopentane
CID 107873
2-Methylhexadecane
CID 15266
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2-Methylpentadecane
CID 15267
Cyclohexane, tetradecyl-
CID 15715

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane?
The IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane (CID 123517328) is 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane.
What is the SMILES notation for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane?
The canonical SMILES for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane is 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(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C.
What is the InChIKey of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane?
The InChIKey is VYNHCEHXSWRDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H326/c1-83(2)85(5)87(7)89(9)91(11)93(13)95(15)97(17)99(19)101(21)103(23)105(25)107(27)109(29)111(31)113(33)115(35)117(37)119(39)121(41)123(43)125(45)127(47)129(49)131(51)133(53)135(55)137(57)139(59)141(61)143(63)145(65)147(67)149(69)151(71)153(73)155(75)157(77)159(79)161(81)162(82)160(80)158(78)156(76)154(74)152(72)150(70)148(68)146(66)144(64)142(62)140(60)138(58)136(56)134(54)132(52)130(50)128(48)126(46)124(44)122(42)120(40)118(38)116(36)114(34)112(32)110(30)108(28)106(26)104(24)102(22)100(20)98(18)96(16)94(14)92(12)90(10)88(8)86(6)84(3)4/h83-162H,1-82H3.
What are the key properties of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane?
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane has a molecular weight of 2274.39 g/mol, XLogP of 51.91, 79 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane is sourced from PubChem (CID 123517328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).