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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyl-2-pentyl-1,3-benzodioxole

SMILES

CCCCCC1(C)OC2=CC=CC=C2O1

InChI

InChIKey=PELGNAVQBDNQGI-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-3-4-7-10-13(2)14-11-8-5-6-9-12(11)15-13/h5-6,8-9H,3-4,7,10H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Methyl-2-pentyl-1,3-benzodioxole
Systematic Name English
1,3-Benzodioxole, 2-methyl-2-pentyl-
Systematic Name English
NSC-27561
Code English
Benzene, 1,2-(1-methylhexylidenedioxy)-
Systematic Name English
2-Methyl-2-pentylbenzo[d][1,3]dioxole
Systematic Name English
Code System Code Type Description
FDA UNII
WYX5U2V2AZ
Created by admin on Sat Dec 16 11:56:39 GMT 2023 , Edited by admin on Sat Dec 16 11:56:39 GMT 2023
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PUBCHEM
78173
Created by admin on Sat Dec 16 11:56:39 GMT 2023 , Edited by admin on Sat Dec 16 11:56:39 GMT 2023
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EPA CompTox
DTXSID8063460
Created by admin on Sat Dec 16 11:56:39 GMT 2023 , Edited by admin on Sat Dec 16 11:56:39 GMT 2023
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CAS
4436-30-0
Created by admin on Sat Dec 16 11:56:39 GMT 2023 , Edited by admin on Sat Dec 16 11:56:39 GMT 2023
PRIMARY
NSC
27561
Created by admin on Sat Dec 16 11:56:39 GMT 2023 , Edited by admin on Sat Dec 16 11:56:39 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-647-5
Created by admin on Sat Dec 16 11:56:39 GMT 2023 , Edited by admin on Sat Dec 16 11:56:39 GMT 2023
PRIMARY