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Details

Stereochemistry RACEMIC
Molecular Formula C9H20O
Molecular Weight 144.2545
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIMETHYL-1-HEPTANOL, (2R,4R)-(±)-

SMILES

CCC[C@@H](C)C[C@@H](C)CO

InChI

InChIKey=HVRFWRROUIDGQO-RKDXNWHRSA-N
InChI=1S/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H20O
Molecular Weight 144.2545
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:53:11 GMT 2023
Edited
by admin
on Sat Dec 16 12:53:11 GMT 2023
Record UNII
J2CT79XGL4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIMETHYL-1-HEPTANOL, (2R,4R)-(±)-
Systematic Name English
1-HEPTANOL, 2,4-DIMETHYL-, (2R,4R)-REL-
Systematic Name English
2,4-DIMETHYLHEPTAN-1-OL, (2R,4R)-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
J2CT79XGL4
Created by admin on Sat Dec 16 12:53:11 GMT 2023 , Edited by admin on Sat Dec 16 12:53:11 GMT 2023
PRIMARY
CAS
110507-98-7
Created by admin on Sat Dec 16 12:53:11 GMT 2023 , Edited by admin on Sat Dec 16 12:53:11 GMT 2023
PRIMARY
PUBCHEM
87650
Created by admin on Sat Dec 16 12:53:11 GMT 2023 , Edited by admin on Sat Dec 16 12:53:11 GMT 2023
PRIMARY