hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane

C48H66 — CID 140677748

IUPAChexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
SMILESC1CC2CC3CCC4CC5CCC6CC7CCC8CCC9C%10CCCC%11CC%12C(C1)C2C1C3C4C2C5C6C3C7C8C9C4C(C%11%10)C%12C1C2C34
InChIInChI=1S/C48H66/c1-3-20-15-23-9-10-24-17-26-12-11-25-16-22-8-7-19-13-14-29-27-5-2-4-21-18-30-28(6-1)31(20)41-35(23)36(24)44-38(26)37(25)43-34(22)33(19)39(29)45-42(32(21)27)40(30)46(41)48(44)47(43)45/h19-48H,1-18H2
InChIKeyBARKGCOWNSFRPU-UHFFFAOYSA-N
MW643.06 g/mol
LogP10.71
Rot. Bonds

About hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane

hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane (PubChem CID 140677748) has the molecular formula C48H66 and a molecular weight of 643.06 g/mol. Its IUPAC name is hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane.

Molecular Properties

Compound Namehexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
PubChem CID140677748
Molecular FormulaC48H66
Molecular Weight643.06 g/mol
Exact Mass642.52
IUPAC Namehexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
SMILESC1CC2CC3CCC4CC5CCC6CC7CCC8CCC9C%10CCCC%11CC%12C(C1)C2C1C3C4C2C5C6C3C7C8C9C4C(C%11%10)C%12C1C2C34
InChIInChI=1S/C48H66/c1-3-20-15-23-9-10-24-17-26-12-11-25-16-22-8-7-19-13-14-29-27-5-2-4-21-18-30-28(6-1)31(20)41-35(23)36(24)44-38(26)37(25)43-34(22)33(19)39(29)45-42(32(21)27)40(30)46(41)48(44)47(43)45/h19-48H,1-18H2
InChIKeyBARKGCOWNSFRPU-UHFFFAOYSA-N
XLogP10.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.06
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane with MolForge

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Related Compounds

heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
tricosacyclo[27.9.7.79,25.710,20.46,42.228,44.05,39.033,45.035,43.037,41.146,48.014,65.016,63.018,61.024,59.040,50.047,52.049,56.051,58.053,60.054,66.055,62.057,64]hexahexacontane
CID 139213160
nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane
CID 91087023
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308
nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane
CID 20700610
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
CID 59725363
tetracyclo[10.2.1.05,14.08,13]pentadecane
CID 13164121
4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane
CID 90872999
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 91597819
tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
CID 158145834
tricyclo[4.4.0.02,8]decane
CID 585864

Frequently Asked Questions

What is the IUPAC name of hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane?
The IUPAC name of hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane (CID 140677748) is hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane.
What is the SMILES notation for hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane?
The canonical SMILES for hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane is C1CC2CC3CCC4CC5CCC6CC7CCC8CCC9C%10CCCC%11CC%12C(C1)C2C1C3C4C2C5C6C3C7C8C9C4C(C%11%10)C%12C1C2C34.
What is the InChIKey of hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane?
The InChIKey is BARKGCOWNSFRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H66/c1-3-20-15-23-9-10-24-17-26-12-11-25-16-22-8-7-19-13-14-29-27-5-2-4-21-18-30-28(6-1)31(20)41-35(23)36(24)44-38(26)37(25)43-34(22)33(19)39(29)45-42(32(21)27)40(30)46(41)48(44)47(43)45/h19-48H,1-18H2.
What are the key properties of hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane?
hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane has a molecular weight of 643.06 g/mol, XLogP of 10.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane is sourced from PubChem (CID 140677748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).