Catalog Number | ACM74181343 |
CAS | 74181-34-3 |
Structure | ![]() |
IUPAC Name | 2,2-dimethyl-1,3-dioxan-5-one |
Synonyms | 2,2-Dimethyl-1,3-dioxan-5-one;74181-34-3;2,2-DIMETHYL-1,3-DIOXANE-5-ONE;MFCD00671514;1,3-Dioxan-5-one, 2,2-dimethyl-;2,2-Dimethyl-[1,3]dioxan-5-one;ACMC-1BG7H;SCHEMBL177657;DTXSID20369767;5-oxo-2,2-dimethyl-1,3-dioxane;BCP18840;ZINC2567285;ANW-36440;BBL102278;KM1598;STL556077;AKOS000278375;AC-6413;CS-W006362;MB01392;MCULE-4531040287;VZ22042;AK-36260;BP-20600;DS-12885;SY023891;AB0063890;DB-002401;AM20100719;D2397;FT-0650140;2,2-Dimethyl-1,3-dioxan-5-one, AldrichCPR;181D343;A838050;Z1868316813 |
Molecular Weight | 130.14g/mol |
Molecular Formula | C6H10O3 |
Canonical SMILES | CC1(OCC(=O)CO1)C |
InChI | InChI=1S/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3 |
InChI Key | ASFQDNDZFGFMMP-UHFFFAOYSA-N |
Complexity | 116 |
Covalently-Bonded Unit Count | 1 |
Exact Mass | 130.062994177g/mol |
Heavy Atom Count | 9 |
Hydrogen Bond Acceptor Count | 3 |
Monoisotopic Mass | 130.062994177g/mol |
Rotatable Bond Count | 0 |
Topological Polar Surface Area | 35.5Ų |
X Log P3 | 0.3 |