(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

C52H34 — CID 149398796

About (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

(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 (PubChem CID 149398796) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 149398796
• Molecular Formula: C52H34
• Molecular Weight: 658.84 g/mol
• Exact Mass: 658.27
• IUPAC Name: (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
• SMILES: C1C2C3CC4C5C6C7C8C9C%10C%11C%12C%13C%14C[C@@H]%15[C@@H]%16CC%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C1C21C34C52C%261C%251C62C72C%241C%231C82C92C%221C%211C%102C%112C%201C%191C%122C%132C%181[C@]%17%16[C@]%14%152
• InChI: InChI=1S/C52H34/c1-5-6-2-10-14-18-22-27-30-28-24-20-16-12-4-8-7-3-11-15-19-23-26-29-25-21-17-13-9(1)31(5)32(6,10)36(14)35(13,31)39(17)40(18,36)44(22)43(21,39)47(25)48(27,44)52(30)50(28)46(24)42(20)38(16)34(8,12)33(7,11)37(15,38)41(19,42)45(23,46)49(26,50)51(29,47)52/h5-30H,1-4H2/t5-,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?
• InChIKey: YOYYTFRSUJNUBO-IBBHYYJZSA-N
• XLogP: 4.76
• TPSA: 0.00 Ų
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.84
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is C1C2C3CC4C5C6C7C8C9C%10C%11C%12C%13C%14C[C@@H]%15[C@@H]%16CC%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C1C21C34C52C%261C%251C62C72C%241C%231C82C92C%221C%211C%102C%112C%201C%191C%122C%132C%181[C@]%17%16[C@]%14%152.

What is the InChIKey of (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?

The InChIKey is YOYYTFRSUJNUBO-IBBHYYJZSA-N. The full InChI is InChI=1S/C52H34/c1-5-6-2-10-14-18-22-27-30-28-24-20-16-12-4-8-7-3-11-15-19-23-26-29-25-21-17-13-9(1)31(5)32(6,10)36(14)35(13,31)39(17)40(18,36)44(22)43(21,39)47(25)48(27,44)52(30)50(28)46(24)42(20)38(16)34(8,12)33(7,11)37(15,38)41(19,42)45(23,46)49(26,50)51(29,47)52/h5-30H,1-4H2/t5-,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?.

What are the key properties of (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?

(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 has a molecular weight of 658.84 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 149398796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).