MetaADEDB 2.0 @ LMMD
Methyl n-Butyl Ketone
(QQZOPKMRPOGIEB-UHFFFAOYSA-N)
Structure
SMILES
CCCCC(=O)C
Molecular Formula:
C6H12O
Molecular Weight:
100.159
Log P:
1.7656
Hydrogen Bond Acceptor:
1
Hydrogen Bond Donor:
0
TPSA:
17.07
CAS Number(s):
591-78-6; 30637-87-7
Synonym(s)
1.
Methyl n-Butyl Ketone
2.
2-Hexanone
3.
Butylmethyl Ketone
4.
Hexan-2-one
5.
2 Hexanone
6.
Hexan 2 one
7.
Ketone, Butylmethyl
8.
Ketone, Methyl n-Butyl
9.
Methyl n Butyl Ketone
10.
n-Butyl Ketone, Methyl
External Link(s)
MeSHD008742
PubChem Compound11583
ChEBI89206
CHEMBLCHEMBL195861
ZINC2034597
Adverse Drug Event(s)
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120141

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.