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Details

Stereochemistry RACEMIC
Molecular Formula C16H34
Molecular Weight 226.4412
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCETANE

SMILES

CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C

InChI

InChIKey=VCLJODPNBNEBKW-UHFFFAOYSA-N
InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3

HIDE SMILES / InChI

Molecular Formula C16H34
Molecular Weight 226.4412
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

Substance Class Chemical
Record UNII
8LP0677305
Record Status Validated (UNII)
Record Version