(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

C61H108N10O12 — CID 162257995

IUPAC(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
SMILESCC(C)C[C@@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)[C@H]([C@@H]2OCC[C@H]2C)C(=O)N[C@H](C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)C[C@@H](C)C(=O)N1C
InChIInChI=1S/C61H108N10O12/c1-32(2)27-43-52(73)62-40(15)47(72)31-39(14)55(76)68(21)45(29-34(5)6)58(79)69(22)46(30-35(7)8)59(80)70(23)49(37(11)12)61(82)71(24)50(51-38(13)25-26-83-51)54(75)63-41(16)56(77)65(18)42(17)57(78)66(19)44(28-33(3)4)53(74)64-48(36(9)10)60(81)67(43)20/h32-46,48-51H,25-31H2,1-24H3,(H,62,73)(H,63,75)(H,64,74)/t38-,39-,40-,41-,42-,43-,44+,45-,46-,48-,49-,50-,51-/m1/s1
InChIKeyHEWNQLMPNKWMLH-TVIQRWRYSA-N
MW1173.59 g/mol
LogP3.82
Rot. Bonds11

About (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (PubChem CID 162257995) has the molecular formula C61H108N10O12 and a molecular weight of 1173.59 g/mol. Its IUPAC name is (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

Molecular Properties

Compound Name(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
PubChem CID162257995
Molecular FormulaC61H108N10O12
Molecular Weight1173.59 g/mol
Exact Mass1172.81
IUPAC Name(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
SMILESCC(C)C[C@@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)[C@H]([C@@H]2OCC[C@H]2C)C(=O)N[C@H](C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)C[C@@H](C)C(=O)N1C
InChIInChI=1S/C61H108N10O12/c1-32(2)27-43-52(73)62-40(15)47(72)31-39(14)55(76)68(21)45(29-34(5)6)58(79)69(22)46(30-35(7)8)59(80)70(23)49(37(11)12)61(82)71(24)50(51-38(13)25-26-83-51)54(75)63-41(16)56(77)65(18)42(17)57(78)66(19)44(28-33(3)4)53(74)64-48(36(9)10)60(81)67(43)20/h32-46,48-51H,25-31H2,1-24H3,(H,62,73)(H,63,75)(H,64,74)/t38-,39-,40-,41-,42-,43-,44+,45-,46-,48-,49-,50-,51-/m1/s1
InChIKeyHEWNQLMPNKWMLH-TVIQRWRYSA-N
XLogP3.82
TPSA255.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.59
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone with MolForge

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Related Compounds

(3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 157122954
(3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 149169858
(3R,6R,9S,12S,15R,18R,21R,24S,27R,30R,33R)-30-ethyl-1,4,7,10,12,15,19,25,27,28-decamethyl-33-[(2R,3R)-3-methyloxepan-2-yl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 159577810
(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 157125846
(3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxepan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 157125847
(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol
CID 158377562
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,27,28-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 102586577
[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R,8R,11R,14R,17R,20S,23R,26R,29R,32R)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacont-11-yl]propan-2-yl] methanesulfinate
CID 162253499
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(2R,3R)-5-ethyl-3-methyloxolan-2-yl]-24-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 135200995
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,27,28-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 56960588
(3R,6S,9S,12R,15S,18R,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24,33-pentakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 162868686
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 162043152

Frequently Asked Questions

What is the IUPAC name of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
The IUPAC name of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (CID 162257995) is (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.
What is the SMILES notation for (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
The canonical SMILES for (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is CC(C)C[C@@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)[C@H]([C@@H]2OCC[C@H]2C)C(=O)N[C@H](C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)C[C@@H](C)C(=O)N1C.
What is the InChIKey of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
The InChIKey is HEWNQLMPNKWMLH-TVIQRWRYSA-N. The full InChI is InChI=1S/C61H108N10O12/c1-32(2)27-43-52(73)62-40(15)47(72)31-39(14)55(76)68(21)45(29-34(5)6)58(79)69(22)46(30-35(7)8)59(80)70(23)49(37(11)12)61(82)71(24)50(51-38(13)25-26-83-51)54(75)63-41(16)56(77)65(18)42(17)57(78)66(19)44(28-33(3)4)53(74)64-48(36(9)10)60(81)67(43)20/h32-46,48-51H,25-31H2,1-24H3,(H,62,73)(H,63,75)(H,64,74)/t38-,39-,40-,41-,42-,43-,44+,45-,46-,48-,49-,50-,51-/m1/s1.
What are the key properties of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone has a molecular weight of 1173.59 g/mol, XLogP of 3.82, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is sourced from PubChem (CID 162257995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).