(11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane

C35H34 — CID 59097370

IUPAC(11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane
SMILESCC1C2C3C4C5CC6C7C8CC9C%10C%11C%12C(C)[C@]%13(C)C%12%14C%11%12C%10%11C%10C7(C56C4C34C%10%12C%143C24[C@@]1(C)C3%13C)C89%11
InChIInChI=1S/C35H34/c1-8-15-19-14-10-6-11-17-12-7-13-18-20-16-9(2)24(4)25(5)23(8,3)31(15)28(19)21(14)26(10,11)29(17)22-30(18,27(12,13)29)33(20)32(16,24)35(25,31)34(22,28)33/h8-22H,6-7H2,1-5H3/t8?,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?/m1/s1
InChIKeyVYNMEZXQZXUPJR-RZWQERAWSA-N
MW454.66 g/mol
LogP5.19
Rot. Bonds

About (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane

(11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane (PubChem CID 59097370) has the molecular formula C35H34 and a molecular weight of 454.66 g/mol. Its IUPAC name is (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane.

Molecular Properties

Compound Name(11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane
PubChem CID59097370
Molecular FormulaC35H34
Molecular Weight454.66 g/mol
Exact Mass454.27
IUPAC Name(11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane
SMILESCC1C2C3C4C5CC6C7C8CC9C%10C%11C%12C(C)[C@]%13(C)C%12%14C%11%12C%10%11C%10C7(C56C4C34C%10%12C%143C24[C@@]1(C)C3%13C)C89%11
InChIInChI=1S/C35H34/c1-8-15-19-14-10-6-11-17-12-7-13-18-20-16-9(2)24(4)25(5)23(8,3)31(15)28(19)21(14)26(10,11)29(17)22-30(18,27(12,13)29)33(20)32(16,24)35(25,31)34(22,28)33/h8-22H,6-7H2,1-5H3/t8?,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?/m1/s1
InChIKeyVYNMEZXQZXUPJR-RZWQERAWSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane with MolForge

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Related Compounds

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
4,5,5,6,7,8,14,15-octamethylnonacyclo[8.6.0.01,12.02,7.02,9.03,6.03,16.04,15.013,16]hexadecane
CID 143863315
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
1,2,2,3,4,5,6,7,8,9,10,22,23,24-tetradecamethyldotriacontacyclo[19.3.3.24,26.25,6.27,8.29,12.216,17.218,19.113,15.120,27.03,25.023,27.024,26.329,33.134,36.011,37.025,30.028,29.028,31.030,41.031,45.032,33.032,44.034,35.035,36.037,38.038,42.039,40.039,43.040,44.041,45.042,43]pentatetracontane
CID 59929066
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
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
2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane
CID 174082250
7,8,9-trimethylhenicosacyclo[11.4.4.44,5.29,20.110,11.112,21.03,18.06,10.015,21.016,20.017,19.07,26.08,27.018,29.019,28.022,23.022,25.023,28.024,25.024,27.026,29]nonacosane
CID 174062340
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
CID 20686197
CID 20686197
10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane
CID 143326459
(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

Frequently Asked Questions

What is the IUPAC name of (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane?
The IUPAC name of (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane (CID 59097370) is (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane.
What is the SMILES notation for (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane?
The canonical SMILES for (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane is CC1C2C3C4C5CC6C7C8CC9C%10C%11C%12C(C)[C@]%13(C)C%12%14C%11%12C%10%11C%10C7(C56C4C34C%10%12C%143C24[C@@]1(C)C3%13C)C89%11.
What is the InChIKey of (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane?
The InChIKey is VYNMEZXQZXUPJR-RZWQERAWSA-N. The full InChI is InChI=1S/C35H34/c1-8-15-19-14-10-6-11-17-12-7-13-18-20-16-9(2)24(4)25(5)23(8,3)31(15)28(19)21(14)26(10,11)29(17)22-30(18,27(12,13)29)33(20)32(16,24)35(25,31)34(22,28)33/h8-22H,6-7H2,1-5H3/t8?,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?/m1/s1.
What are the key properties of (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane?
(11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane has a molecular weight of 454.66 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane is sourced from PubChem (CID 59097370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).