(1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane

C48H34 — CID 59330510

IUPAC(1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane
SMILESC1C2C3C[C@H]4C5C6C7C8[C@H]9C%10C%11C%12[C@H]%13CC%14[C@H]%15CC%16C%17CC%18C%19C%20C%21C%22C%23C1[C@]21C34C52C63C74[C@@]%21([C@@]%223[C@@]%2321)[C@@]%201[C@]84[C@]92C%103C%114C(C%175C%124C%14%13[C@]%16%155)[C@@]%183[C@@]%1921
InChIInChI=1S/C48H34/c1-6-8-2-12-16-20-24-27-28-26-22-18-14-4-10-9-3-13-17-21-25-23-19-15-5-11-7(1)30(6)31(8,12)37(16)34(11,30)29-35(15)38(24,36(20,29)37)42(27)41(19,35)45(23)46(28,42)48(26)44(22)40(18)33(10,14)32(9,13)39(17,40)43(21,44)47(25,45)48/h6-29H,1-5H2/t6-,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?/m1/s1
InChIKeyHBQRPURAFXSNPH-FRJJIAPGSA-N
MW610.80 g/mol
LogP4.90
Rot. Bonds

About (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane

(1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane (PubChem CID 59330510) has the molecular formula C48H34 and a molecular weight of 610.80 g/mol. Its IUPAC name is (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane.

Molecular Properties

Compound Name(1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane
PubChem CID59330510
Molecular FormulaC48H34
Molecular Weight610.80 g/mol
Exact Mass610.27
IUPAC Name(1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane
SMILESC1C2C3C[C@H]4C5C6C7C8[C@H]9C%10C%11C%12[C@H]%13CC%14[C@H]%15CC%16C%17CC%18C%19C%20C%21C%22C%23C1[C@]21C34C52C63C74[C@@]%21([C@@]%223[C@@]%2321)[C@@]%201[C@]84[C@]92C%103C%114C(C%175C%124C%14%13[C@]%16%155)[C@@]%183[C@@]%1921
InChIInChI=1S/C48H34/c1-6-8-2-12-16-20-24-27-28-26-22-18-14-4-10-9-3-13-17-21-25-23-19-15-5-11-7(1)30(6)31(8,12)37(16)34(11,30)29-35(15)38(24,36(20,29)37)42(27)41(19,35)45(23)46(28,42)48(26)44(22)40(18)33(10,14)32(9,13)39(17,40)43(21,44)47(25,45)48/h6-29H,1-5H2/t6-,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?/m1/s1
InChIKeyHBQRPURAFXSNPH-FRJJIAPGSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.80
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane with MolForge

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Related Compounds

(13S,15S,16R,18S,45R,46S)-hexatriacontacyclo[26.2.2.25,26.26,25.27,24.28,9.210,11.216,19.220,21.222,23.113,15.127,32.03,31.030,32.14,33.112,44.018,45.031,50.033,34.034,36.035,37.035,50.036,38.037,39.038,40.039,52.040,52.041,42.041,51.042,48.043,44.043,47.045,46.046,49.047,49.048,51]dopentacontane
CID 149398796
tetracosacyclo[18.2.2.25,18.26,7.28,9.212,15.216,17.119,24.03,23.022,24.14,25.011,32.014,31.023,34.025,26.026,28.027,34.027,36.028,36.029,30.029,35.030,33.031,32.033,35]hexatriacontane
CID 58803243
9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane
CID 174319976
(3R,4S,6R,7S,9R,10S,11S,12S,13S,15R,16R,23R,24R)-16,23,24-trimethylpentadecacyclo[7.6.6.43,4.07,21.010,20.011,19.012,18.013,17.015,17.06,22.016,25.018,25.019,24.020,23.021,22]pentacosane
CID 174076596
16,23,25-trimethylpentadecacyclo[7.6.6.46,16.07,21.010,20.011,19.012,18.013,17.015,17.03,22.04,24.018,22.019,23.020,24.021,25]pentacosane
CID 174061805
7,8,9,10-tetramethyldodecacyclo[10.8.0.01,4.02,9.02,11.03,6.03,8.04,19.05,18.013,20.015,20.016,19]icosane
CID 20740891
tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane
CID 20651980
CID 59104663
CID 59104663
dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane
CID 59751642
CID 58783092
CID 58783092
octatetracontacyclo[21.5.5.44,32.25,6.27,8.211,12.213,14.218,19.220,21.115,17.122,33.03,29.025,33.026,32.027,31.028,30.536,40.346,50.244,45.135,39.137,51.09,47.029,38.030,37.031,36.034,35.034,39.038,51.040,41.041,59.042,43.042,57.043,44.045,46.047,48.048,55.049,50.049,54.052,53.052,62.053,61.054,60.055,56.056,60.057,59.058,61.058,63.062,63]trihexacontane
CID 140616722
CID 20714832
CID 20714832

Frequently Asked Questions

What is the IUPAC name of (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane?
The IUPAC name of (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane (CID 59330510) is (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane.
What is the SMILES notation for (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane?
The canonical SMILES for (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane is C1C2C3C[C@H]4C5C6C7C8[C@H]9C%10C%11C%12[C@H]%13CC%14[C@H]%15CC%16C%17CC%18C%19C%20C%21C%22C%23C1[C@]21C34C52C63C74[C@@]%21([C@@]%223[C@@]%2321)[C@@]%201[C@]84[C@]92C%103C%114C(C%175C%124C%14%13[C@]%16%155)[C@@]%183[C@@]%1921.
What is the InChIKey of (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane?
The InChIKey is HBQRPURAFXSNPH-FRJJIAPGSA-N. The full InChI is InChI=1S/C48H34/c1-6-8-2-12-16-20-24-27-28-26-22-18-14-4-10-9-3-13-17-21-25-23-19-15-5-11-7(1)30(6)31(8,12)37(16)34(11,30)29-35(15)38(24,36(20,29)37)42(27)41(19,35)45(23)46(28,42)48(26)44(22)40(18)33(10,14)32(9,13)39(17,40)43(21,44)47(25,45)48/h6-29H,1-5H2/t6-,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?/m1/s1.
What are the key properties of (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane?
(1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane has a molecular weight of 610.80 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,15R,17S,18S,19S,20S,22R,23R,24R,25R,26R,28S,29R,34S,35S,36R,37S,42S,43R,44S,45R,46S,48S)-dotriacontacyclo[24.2.2.27,22.28,21.29,10.215,18.219,20.223,24.112,14.125,30.03,29.028,30.24,32.16,33.111,40.017,41.029,48.031,32.031,48.033,34.034,36.035,37.035,46.036,38.037,44.038,44.039,40.039,43.041,42.042,45.043,45.046,47]octatetracontane is sourced from PubChem (CID 59330510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).