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Details

Stereochemistry MIXED
Molecular Formula C15H24O
Molecular Weight 220.3505
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,7,7-TRIMETHYL-4-(3-METHYL-2-BUTEN-1-YL)BICYCLO(4.1.0)HEPTAN-3-ONE

SMILES

CC(C)=CCC1(C)C[C@H]2[C@@H](CC1=O)C2(C)C

InChI

InChIKey=FWQHAOBZTWZRCE-ZVORSSOTSA-N
InChI=1S/C15H24O/c1-10(2)6-7-15(5)9-12-11(8-13(15)16)14(12,3)4/h6,11-12H,7-9H2,1-5H3/t11-,12+,15?/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H24O
Molecular Weight 220.3505
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:42:23 GMT 2023
Edited
by admin
on Sat Dec 16 09:42:23 GMT 2023
Record UNII
1K800F5WU3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,7,7-TRIMETHYL-4-(3-METHYL-2-BUTEN-1-YL)BICYCLO(4.1.0)HEPTAN-3-ONE
Systematic Name English
BICYCLO(4.1.0)HEPTAN-3-ONE, 4,7,7-TRIMETHYL-4-(3-METHYL-2-BUTEN-1-YL)-
Systematic Name English
BICYCLO(4.1.0)HEPTAN-3-ONE, 4,7,7-TRIMETHYL-4-(3-METHYL-2-BUTENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
121494097
Created by admin on Sat Dec 16 09:42:23 GMT 2023 , Edited by admin on Sat Dec 16 09:42:23 GMT 2023
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FDA UNII
1K800F5WU3
Created by admin on Sat Dec 16 09:42:23 GMT 2023 , Edited by admin on Sat Dec 16 09:42:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID50888451
Created by admin on Sat Dec 16 09:42:23 GMT 2023 , Edited by admin on Sat Dec 16 09:42:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
277-896-7
Created by admin on Sat Dec 16 09:42:23 GMT 2023 , Edited by admin on Sat Dec 16 09:42:23 GMT 2023
PRIMARY
CAS
74499-59-5
Created by admin on Sat Dec 16 09:42:23 GMT 2023 , Edited by admin on Sat Dec 16 09:42:23 GMT 2023
PRIMARY