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-heptacosamethylnonacosane;methane

C58H122 — CID 160593836

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-heptacosamethylnonacosane;methane
SMILESC.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
InChIInChI=1S/C56H114.2CH4/c1-30(2)32(5)34(7)36(9)38(11)40(13)42(15)44(17)46(19)48(21)50(23)52(25)54(27)56(29)55(28)53(26)51(24)49(22)47(20)45(18)43(16)41(14)39(12)37(10)35(8)33(6)31(3)4;;/h30-56H,1-29H3;2*1H4
InChIKeyRDJHLDHLCNUNIL-UHFFFAOYSA-N
MW819.61 g/mol
LogP19.47
Rot. Bonds26

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-heptacosamethylnonacosane;methane

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-heptacosamethylnonacosane;methane (PubChem CID 160593836) has the molecular formula C58H122 and a molecular weight of 819.61 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-heptacosamethylnonacosane;methane.

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-heptacosamethylnonacosane;methane
PubChem CID160593836
Molecular FormulaC58H122
Molecular Weight819.61 g/mol
Exact Mass818.95
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-heptacosamethylnonacosane;methane
SMILESC.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
InChIInChI=1S/C56H114.2CH4/c1-30(2)32(5)34(7)36(9)38(11)40(13)42(15)44(17)46(19)48(21)50(23)52(25)54(27)56(29)55(28)53(26)51(24)49(22)47(20)45(18)43(16)41(14)39(12)37(10)35(8)33(6)31(3)4;;/h30-56H,1-29H3;2*1H4
InChIKeyRDJHLDHLCNUNIL-UHFFFAOYSA-N
XLogP19.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.61
LogP ≤ 519.47
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-heptacosamethylnonacosane;methane with MolForge

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Related Compounds

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
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane
CID 20659071
methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene
CID 162024182
ethane;hydron;bis(2,3,4-trimethylpentane)
CID 160880864
2,3,5,6,7-pentamethyloctan-4-amine
CID 130441412
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane
CID 123523398
dimethyl(3,4,5-trimethylhexan-2-yl)borane
CID 59733964
bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)
CID 159672418
5-ethyl-2,3,4-trimethylheptane
CID 53428868
2-methoxy-3,4,5-trimethylhexane
CID 123147502
(E)-3,4,5,6,7,8-hexamethylnon-2-en-2-amine
CID 89116873

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-heptacosamethylnonacosane;methane?
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-heptacosamethylnonacosane;methane (CID 160593836) 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-heptacosamethylnonacosane;methane.
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-heptacosamethylnonacosane;methane?
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-heptacosamethylnonacosane;methane is 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.
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-heptacosamethylnonacosane;methane?
The InChIKey is RDJHLDHLCNUNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H114.2CH4/c1-30(2)32(5)34(7)36(9)38(11)40(13)42(15)44(17)46(19)48(21)50(23)52(25)54(27)56(29)55(28)53(26)51(24)49(22)47(20)45(18)43(16)41(14)39(12)37(10)35(8)33(6)31(3)4;;/h30-56H,1-29H3;2*1H4.
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-heptacosamethylnonacosane;methane?
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-heptacosamethylnonacosane;methane has a molecular weight of 819.61 g/mol, XLogP of 19.47, 26 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-heptacosamethylnonacosane;methane is sourced from PubChem (CID 160593836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).