145572-23-2
3,5,7,10,12,14,17,19,21,24,26,28-Dodecamethyl[1.1.1.1] methacyclophane-4,11,18,25-OH
Name3,5,7,10,12,14,17,19,21,24,26,28-Dodecamethyl[1.1.1.1] methacyclophane-4,11,18,25-OH
1Identification
【Name】
3,5,7,10,12,14,17,19,21,24,26,28-Dodecamethyl[1.1.1.1] methacyclophane-4,11,18,25-OH
【CAS】
【MDL】
MFCD01632663
【中文同义词】
3,5,7,10,12,14,17,19,21,24,26,28-Dodecamethyl[1.1.1.1] methacyclophane-4,11,18,25-OH
【EnglishSynonyms】
3,5,7,10,12,14,17,19,21,24,26,28-DODECAMETHYL[1.1.1.1]METHACYCLOPHANE-4,11,18,25-OH
3,5,7,10,12,14,17,19,21,24,26,28-DODECAMETHYL[1.1.1.1]METACYCLOPHANE-4,11,18,25-TETROL
【pro_formula】
C40 H48 O4
【pro_molWeight】
592.815
【Inchi】
InChI=1S/C40H48O4/c1-17-29-13-31-18(2)33(25(9)38(42)23(31)7)15-35-20(4)36(28(12)40(44)27(35)11)16-34-19(3)32(24(8)39(43)26(34)10)14-30(17)22(6)37(41)21(29)5/h41-44H,13-16H2,1-12H3
【InChIKey】
InChIKey=WAKLCZAHNJRGDW-UHFFFAOYSA-N
【SMILES】
Cc1c2c(c(c(c1Cc3c(c(c(c(c3C)O)C)Cc4c(c(c(c(c4C)O)C)Cc5c(c(c(c(c5C)O)C)C2)C)C)C)C)O)C
【MOL File】
3,5,7,10,12,14,17,19….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:4
XLogP3:12.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3,5,7,10,12,14,17,19,21,24,26,28-Dodecamethyl[1.1.1.1] methacyclophane-4,11,18,25-OH.cml