5,10,15,20,25,30-Hexakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (n on-preferred name)

Molecular FormulaC₃₆H₅₄Br₆O₂₄
Average mass1350.224 Da
Monoisotopic mass1343.810425 Da
ChemSpider ID21429454

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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5,10,15,20,25,30-Hexakis(brommethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26]dotetracontan-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non -preferred name) [German] [ACD/IUPAC Name]

5,10,15,20,25,30-Hexakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (n on-preferred name) [ACD/IUPAC Name]

5,10,15,20,25,30-Hexakis(bromométhyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodécaoxaheptacyclo[26.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26]dotétracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodécol (n on-preferred name) [French] [ACD/IUPAC Name]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.9±0.1 g/cm³
Boiling Point:	1368.6±60.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization:	233.0±6.0 kJ/mol
Flash Point:	781.5±32.9 °C
Index of Refraction:	1.608
Molar Refractivity:	239.6±0.3 cm³
#H bond acceptors:	24
#H bond donors:	12
#Freely Rotating Bonds:	6
#Rule of 5 Violations:	3

ACD/LogP:	1.54
ACD/LogD (pH 5.5):	-0.22
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	18.17
ACD/LogD (pH 7.4):	-0.22
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	18.17
Polar Surface Area:	354 Å²
Polarizability:	95.0±0.5 10^-24cm³
Surface Tension:	65.1±3.0 dyne/cm
Molar Volume:	693.0±3.0 cm³

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5,10,15,20,25,30-Hexakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (n on-preferred name)

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5,10,15,20,25,30-Hexakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (n on-preferred name)