183293-82-5
6-(5-CARBOXY-5-METHYL-HEXOXY)-2,2-DIMETHYL-HEXANOIC ACID
Name6-(5-CARBOXY-5-METHYL-HEXOXY)-2,2-DIMETHYL-HEXANOIC ACID
1Identification
【Name】
6-(5-CARBOXY-5-METHYL-HEXOXY)-2,2-DIMETHYL-HEXANOIC ACID
【CAS】
【MDL】
MFCD00951832
【English Synonyms】
【Formula】
C16 H30 O5
【MolWeight】
302.408
【Inchi】
InChI=1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)
【InChIKey】
InChIKey=SDMBRCRVFFHJKR-UHFFFAOYSA-N
【SMILES】
CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O
【MOL File】
6-(5-CARBOXY-5-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(5-CARBOXY-5-METHYL-HEXOXY)-2,2-DIMETHYL-HEXANOIC ACID.cml