octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene

C18H4 — CID 101181692

IUPACoctacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene
SMILESc1cc2c1c1c2c2c1c1c3c4c5ccc5c4c3c21
InChIInChI=1S/C18H4/c1-2-6-5(1)9-10(6)14-13(9)17-15-11-7-3-4-8(7)12(11)16(15)18(14)17/h1-4H
InChIKeyAFYVVAAYGXUESK-UHFFFAOYSA-N
MW220.23 g/mol
LogP5.26
Rot. Bonds

About octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene

octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene (PubChem CID 101181692) has the molecular formula C18H4 and a molecular weight of 220.23 g/mol. Its IUPAC name is octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene.

Molecular Properties

Compound Nameoctacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene
PubChem CID101181692
Molecular FormulaC18H4
Molecular Weight220.23 g/mol
Exact Mass220.03
IUPAC Nameoctacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene
SMILESc1cc2c1c1c2c2c1c1c3c4c5ccc5c4c3c21
InChIInChI=1S/C18H4/c1-2-6-5(1)9-10(6)14-13(9)17-15-11-7-3-4-8(7)12(11)16(15)18(14)17/h1-4H
InChIKeyAFYVVAAYGXUESK-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.23
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene with MolForge

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Related Compounds

nonadecacyclo[38.18.2.02,55.05,54.06,11.012,53.015,52.016,49.019,48.020,25.026,47.029,46.030,43.033,42.034,39.041,58.044,57.045,50.051,56]hexaconta-1,3,5(54),6,8,10,12(53),13,15,17,19(48),20,22,24,26(47),27,29,31,33(42),34,36,38,40,43,45,49,51,55,57,59-triacontaene
CID 58800430
undecacyclo[30.6.2.02,7.08,37.09,14.015,36.018,35.019,24.025,34.026,31.033,38]tetraconta-1(38),2,4,6,8(37),9,11,13,15(36),16,18(35),19,21,23,25(34),26,28,30,32,39-icosaene
CID 21083049
heptadecacyclo[36.16.0.02,7.06,15.08,37.09,14.010,35.011,28.012,25.013,18.019,24.029,34.033,42.036,41.039,52.040,45.046,51]tetrapentaconta-1,3,5,7,9,11(28),12(25),13(18),14,16,19,21,23,26,29,31,33(42),34,36(41),37,39(52),40(45),43,46,48,50,53-heptacosaene
CID 11814412
15,21,32,34,36,42-hexamethyltridecacyclo[27.11.1.116,20.02,7.03,28.04,25.05,18.06,11.08,39.012,17.019,24.033,41.035,40]dotetraconta-1(41),2,4,6(11),7,9,12(17),13,15,18,20(42),21,23,25,27,29,31,33,35,37,39-henicosaene
CID 132548286
nonacyclo[20.6.4.02,7.08,30.09,14.015,31.016,21.023,28.029,32]dotriaconta-1(29),2,4,6,8(30),9,11,13,15(31),16,18,20,22(32),23,25,27-hexadecaene
CID 102166669
nonadecacyclo[78.4.0.02,73.03,8.09,66.010,37.011,16.017,30.018,23.024,29.031,36.038,65.039,44.045,58.046,51.052,57.059,64.067,72.074,79]tetraoctaconta-1(84),2(73),3,5,7,9,11,13,15,17(30),18,20,22,24,26,28,31,33,35,37,39,41,43,45(58),46,48,50,52,54,56,59,61,63,65,67,69,71,74,76,78,80,82-dotetracontaene
CID 162412244
nonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.023,28.029,34]tetratriaconta-1(22),2(15),3(12),4,6,8,10,13,16,18,20,23,25,27,29(34),30,32-heptadecaene
CID 21082984
dodecacyclo[20.16.0.02,19.03,16.04,13.05,38.06,35.07,12.08,33.024,37.027,36.029,34]octatriaconta-1(38),2(19),3(16),4(13),5,7,9,11,14,17,20,22,24(37),25,27(36),28,30,32,34-nonadecaene
CID 21082989
6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene
CID 159123818
9,9-dimethyl-9-azoniaheptadecacyclo[30.10.1.02,31.05,30.06,28.07,11.012,27.013,25.016,24.017,22.020,40.021,38.023,36.026,35.029,34.033,37.039,43]tritetraconta-1,3,5,12(27),13(25),14,16,18,20(40),21,23,26(35),28,30,32(43),33,36,38,41-nonadecaene
CID 88554821
decacyclo[27.5.2.02,19.04,17.05,10.011,16.020,33.023,32.026,31.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23(32),24,26(31),27,29,33,35-octadecaene
CID 102147031
undecacyclo[30.6.2.02,11.04,9.012,37.015,36.018,35.019,28.021,26.029,34.033,38]tetraconta-1(38),2,4,6,8,10,12(37),13,15(36),16,18(35),19,21,23,25,27,29(34),30,32,39-icosaene
CID 21083012

Frequently Asked Questions

What is the IUPAC name of octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene?
The IUPAC name of octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene (CID 101181692) is octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene.
What is the SMILES notation for octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene?
The canonical SMILES for octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene is c1cc2c1c1c2c2c1c1c3c4c5ccc5c4c3c21.
What is the InChIKey of octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene?
The InChIKey is AFYVVAAYGXUESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H4/c1-2-6-5(1)9-10(6)14-13(9)17-15-11-7-3-4-8(7)12(11)16(15)18(14)17/h1-4H.
What are the key properties of octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene?
octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene has a molecular weight of 220.23 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene is sourced from PubChem (CID 101181692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).