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Details

Stereochemistry ACHIRAL
Molecular Formula C8H18
Molecular Weight 114.2285
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-DIMETHYLHEXANE

SMILES

CCCC(C)(C)CC

InChI

InChIKey=KUMXLFIBWFCMOJ-UHFFFAOYSA-N
InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C8H18
Molecular Weight 114.2285
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:25:00 GMT 2023
Edited
by admin
on Sat Dec 16 13:25:00 GMT 2023
Record UNII
5Y25PZR32U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3-DIMETHYLHEXANE
Systematic Name English
NSC-74174
Code English
HEXANE, 3,3-DIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
209-243-9
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
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CAS
563-16-6
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
PRIMARY
CHEBI
132182
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
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FDA UNII
5Y25PZR32U
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
PRIMARY
PUBCHEM
11233
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
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EPA CompTox
DTXSID2073194
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
PRIMARY
NSC
74174
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
PRIMARY