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

C66H88 — CID 139213160

IUPACtricosacyclo[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
SMILESC1CC2CC3CC4CC5CCCC6C7CCC8C9CCCC%10CC%11CC%12CC%13CCCC%14C%15CCC%16C(C1)C2C1C3C2C4C(C56)C3C7C8C4C(C%109)C%11C5C%12C(C%13%14)C6C%15C%16C1C1C2C3C4C5C61
InChIInChI=1S/C66H88/c1-5-23-17-27-21-28-18-24-6-3-11-33-37-15-16-38-34-12-4-8-26-20-30-22-29-19-25-7-2-10-32-36-14-13-35-31(9-1)39(23)51-43(27)55-44(28)53(41(24)33)59-49(37)50(38)60-54(42(26)34)46(30)56-45(29)52(40(25)32)58-48(36)47(35)57(51)63-61(55)65(59)66(60)62(56)64(58)63/h23-66H,1-22H2
InChIKeyAIWOSRSZHPILLE-UHFFFAOYSA-N
MW881.43 g/mol
LogP13.99
Rot. Bonds

About 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

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 (PubChem CID 139213160) has the molecular formula C66H88 and a molecular weight of 881.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametricosacyclo[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
PubChem CID139213160
Molecular FormulaC66H88
Molecular Weight881.43 g/mol
Exact Mass880.69
IUPAC Nametricosacyclo[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
SMILESC1CC2CC3CC4CC5CCCC6C7CCC8C9CCCC%10CC%11CC%12CC%13CCCC%14C%15CCC%16C(C1)C2C1C3C2C4C(C56)C3C7C8C4C(C%109)C%11C5C%12C(C%13%14)C6C%15C%16C1C1C2C3C4C5C61
InChIInChI=1S/C66H88/c1-5-23-17-27-21-28-18-24-6-3-11-33-37-15-16-38-34-12-4-8-26-20-30-22-29-19-25-7-2-10-32-36-14-13-35-31(9-1)39(23)51-43(27)55-44(28)53(41(24)33)59-49(37)50(38)60-54(42(26)34)46(30)56-45(29)52(40(25)32)58-48(36)47(35)57(51)63-61(55)65(59)66(60)62(56)64(58)63/h23-66H,1-22H2
InChIKeyAIWOSRSZHPILLE-UHFFFAOYSA-N
XLogP13.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.43
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane
CID 20700610
nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane
CID 91087023
(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
CID 58820692
tricyclo[4.4.0.02,8]decane
CID 585864
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
CID 59725363
4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane
CID 90872999
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747
(7S,8S)-tetracyclo[5.4.0.02,6.08,11]undecane
CID 163896911
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CC2CC3CC4CC5CCCC6C7CCC8C9CCCC%10CC%11CC%12CC%13CCCC%14C%15CCC%16C(C1)C2C1C3C2C4C(C56)C3C7C8C4C(C%109)C%11C5C%12C(C%13%14)C6C%15C%16C1C1C2C3C4C5C61.
What is the InChIKey of 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?
The InChIKey is AIWOSRSZHPILLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H88/c1-5-23-17-27-21-28-18-24-6-3-11-33-37-15-16-38-34-12-4-8-26-20-30-22-29-19-25-7-2-10-32-36-14-13-35-31(9-1)39(23)51-43(27)55-44(28)53(41(24)33)59-49(37)50(38)60-54(42(26)34)46(30)56-45(29)52(40(25)32)58-48(36)47(35)57(51)63-61(55)65(59)66(60)62(56)64(58)63/h23-66H,1-22H2.
What are the key properties of 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?
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 has a molecular weight of 881.43 g/mol, XLogP of 13.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139213160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).