(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

C28H28 — CID 174076596

IUPAC(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
SMILESC[C@@]12C3CC4[C@@H]5CC6C7C[C@@H]8C9C%10C%11[C@@H]%12CC3C%121C%111C%103C9%10C78C65[C@]%10(C)[C@]3(C)C412
InChIInChI=1S/C28H28/c1-19-8-4-13-12-5-10-11-7-15-16-18-17-14-6-9(8)22(14,19)28(17)25(13,19)21(3)20(2)23(10,12)24(11,15)26(16,20)27(18,21)28/h8-18H,4-7H2,1-3H3/t8?,9?,10?,11?,12-,13?,14-,15+,16?,17?,18?,19+,20-,21+,22?,23?,24?,25?,26?,27?,28?/m0/s1
InChIKeyPGZHCSKYJFVWSG-LCUXAHNDSA-N
MW364.53 g/mol
LogP4.45
Rot. Bonds

About (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

(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 (PubChem CID 174076596) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID174076596
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name(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
SMILESC[C@@]12C3CC4[C@@H]5CC6C7C[C@@H]8C9C%10C%11[C@@H]%12CC3C%121C%111C%103C9%10C78C65[C@]%10(C)[C@]3(C)C412
InChIInChI=1S/C28H28/c1-19-8-4-13-12-5-10-11-7-15-16-18-17-14-6-9(8)22(14,19)28(17)25(13,19)21(3)20(2)23(10,12)24(11,15)26(16,20)27(18,21)28/h8-18H,4-7H2,1-3H3/t8?,9?,10?,11?,12-,13?,14-,15+,16?,17?,18?,19+,20-,21+,22?,23?,24?,25?,26?,27?,28?/m0/s1
InChIKeyPGZHCSKYJFVWSG-LCUXAHNDSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (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 with MolForge

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Related Compounds

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
(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
CID 174066549
CID 174066549
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
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
(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
1,2,33,34,35,36-hexamethylpentahexacontacyclo[30.4.4.34,39.26,7.28,9.210,11.212,13.217,18.221,22.223,24.225,26.227,28.229,30.114,16.131,40.03,37.034,40.035,39.036,38.449,52.342,47.343,64.360,62.248,63.258,59.15,65.153,55.019,54.037,44.038,43.041,42.041,45.044,66.045,84.046,47.046,83.048,49.050,51.050,80.051,79.052,53.054,55.056,57.056,76.057,58.059,60.061,62.061,73.063,64.065,68.066,69.067,70.067,82.068,83.069,84.070,72.071,81.071,82.072,81.073,80.074,75.074,79.075,78.076,77.077,78]tetraoctacontane
CID 58991895
1,2,20,21,22-pentamethyloctacosacyclo[17.3.3.24,24.26,7.28,11.214,15.216,17.118,25.03,23.021,25.022,24.35,30.131,33.010,34.012,32.023,28.026,27.026,29.027,39.028,40.029,39.030,31.032,33.034,35.035,37.036,38.036,40.037,38]tetracontane
CID 174084191
4,5,6-trimethyltridecacyclo[10.9.1.01,15.02,5.02,20.03,11.03,22.04,10.06,20.07,19.014,22.016,21.018,21]docosane
CID 174340867
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@]12C3CC4[C@@H]5CC6C7C[C@@H]8C9C%10C%11[C@@H]%12CC3C%121C%111C%103C9%10C78C65[C@]%10(C)[C@]3(C)C412.
What is the InChIKey of (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?
The InChIKey is PGZHCSKYJFVWSG-LCUXAHNDSA-N. The full InChI is InChI=1S/C28H28/c1-19-8-4-13-12-5-10-11-7-15-16-18-17-14-6-9(8)22(14,19)28(17)25(13,19)21(3)20(2)23(10,12)24(11,15)26(16,20)27(18,21)28/h8-18H,4-7H2,1-3H3/t8?,9?,10?,11?,12-,13?,14-,15+,16?,17?,18?,19+,20-,21+,22?,23?,24?,25?,26?,27?,28?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 364.53 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 174076596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).