decacyclo[24.7.1.1^{4,8}.1^{15,19}.0^{2,25}.0^{3,13}.0^{14,24}.0^{30,34}.0^{12,36}.0^{23,35}]hexatriaconta-1(34),2,4,6,8,10,12(36),13,15,17,19,21,23(35),24,26,28,30,32-octadecaene

• ChemBase ID: 107204
• Molecular Formular: C36H18
• Molecular Mass: 450.52812
• Monoisotopic Mass: 450.14085058
• SMILES: c1cc2cccc3c2c(c1)c1c2c4cccc5cccc(c45)c2c2c4cccc5c4c(ccc5)c2c31
• Canonical SMILES: c1cc2cccc3c2c(c1)c1c3c2c(c3c1c1cccc4c1c3ccc4)c1c3c2cccc3ccc1
• InChI: InChI=1S/C36H18/c1-7-19-8-2-14-23-28(19)22(13-1)31-32(23)34-26-17-5-11-21-12-6-18-27(30(21)26)36(34)35-25-16-4-10-20-9-3-15-24(29(20)25)33(31)35/h1-18H
• InChIKey: CUIWZLHUNCCYBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decacyclo[24.7.1.1^{4,8}.1^{15,19}.0^{2,25}.0^{3,13}.0^{14,24}.0^{30,34}.0^{12,36}.0^{23,35}]hexatriaconta-1(34),2,4,6,8,10,12(36),13,15,17,19,21,23(35),24,26,28,30,32-octadecaene; decacyclo[24.7.1.1^4,^8.1^1^5,^1^9.0^2,^2^5.0^3,^1^3.0^1^4,^2^4.0^3^0,^3^4.0^1^2,^3^6.0^2^3,^3^5]hexatriaconta-1(34),2(25),3(13),4,6,8,10,12(36),14(24),15(35),16,18,20,22,26,28,30,32-octadecaene
• IUPAC Traditional name: decacyclo[24.7.1.1^{4,8}.1^{15,19}.0^{2,25}.0^{3,13}.0^{14,24}.0^{30,34}.0^{12,36}.0^{23,35}]hexatriaconta-1(34),2,4,6,8,10,12(36),13,15,17,19,21,23(35),24,26,28,30,32-octadecaene; decacyclo[24.7.1.1^4,^8.1^1^5,^1^9.0^2,^2^5.0^3,^1^3.0^1^4,^2^4.0^3^0,^3^4.0^1^2,^3^6.0^2^3,^3^5]hexatriaconta-1(34),2(25),3(13),4,6,8,10,12(36),14(24),15(35),16,18,20,22,26,28,30,32-octadecaene
• Synonyms: DECACYCLENE; Decacyclene; 十环烯

Database IDs

• CAS Number: 191-48-0
• EC Number: 205-889-0
• MDL Number: MFCD00003705
• Beilstein Number: 1917063
• PubChem SID: 162093720; 24869387
• PubChem CID: 67448

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.905291
• LogD (pH = 7.4): 8.905291
• Log P: 8.905291
• Molar Refractivity: 148.0518 cm^3
• Polarizability: 69.43924 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: analytical standard, for environmental analysis
• Empirical Formula (Hill Notation): C36H18

DETAILS

MP Biomedicals - 05202917

MP Biomedicals Rare Chemical collection