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Reference substances

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IUPAC name:
2,4,7,9-tetramethyldec-5-yne-4,7-diol

Inventory

EC number:
204-809-1
EC name:
2,4,7,9-tetramethyldec-5-yne-4,7-diol
CAS number:
126-86-3
CAS number:
126-86-3
Synonyms
Names:
5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-
TMDD
Identifier:
IUPAC name
2,4,7,9-Tetramethyldec-5-yne-4,7-diol
Identifier:
IUPAC name
2,4,7,9-tetramethyldec-5-yne-4,7-diol
Identifier:
other: InChl
1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
Identifier:
other: SMILES notation
C([C@@](C#C[C@@](CC(C)C)(C)O)(C)O)C(C)C
Identifier:
other: Molecular formula
C14 H26 O2
Identifier:
other: Molecular formula
C14-H26-O2
Identifier:
other: SMILES notation
CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
Identifier:
other: SMILES notation
CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
Identifier:
other: InChl
InChI=1/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
Identifier:
other: InChl
InChI=1/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3 AuxInfo=1/0/N:1,13,10,16,14,15,5,6,3,8,2,9,4,7,11,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16CCCCCCCCCCOOCCCC/rB:s1;s2;s3;s4;t5;s6;s7;s8;s9;s4;s7;s2;s4;s7;s9;/rC:0,-1.54,0;1.3113,-2.3221,0;2.6229,-1.54,0;3.9823,-2.3341,0;5.2937,-1.5521,0;6.6534,-2.346,0;7.9647,-1.5641,0;9.2641,-2.346,0;10.6236,-1.5521,0;11.9351,-2.3341,0;4.0184,-3.8621,0;8.061,0,0;1.3113,-3.8621,0;4.0064,-.77,0;8.061,-3.1041,0;10.7559,-.0121,0;
Identifier:
other: SMILES notation
OC(C#CC(O)(CC(C)C)C)(CC(C)C)C
2,4,7,9-tetramethyldec-5-yne-4,7-diol

Molecular and structural information

Molecular formula:
C14H26O2
Molecular weight:
226
SMILES notation:
OC(C#CC(O)(C)CC(C)C)(C)CC(C)C
InChl:
InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
Structural formula:
Chemical structure

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