Home Other Building Blocks 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one

4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one

CAS No.:
14901-07-6
Catalog Number:
AG00396F
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95+%
1 week
United States
$52
- +
25g
95+%
1 week
United States
$66
- +
100g
95+%
1 week
United States
$80
- +
Product Description
Catalog Number:
AG00396F
Chemical Name:
4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
CAS Number:
14901-07-6
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
MDL Number:
MFCD00001549
IUPAC Name:
(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
InChI:
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChI Key:
PSQYTAPXSHCGMF-BQYQJAHWSA-N
SMILES:
CC(=O)C=CC1=C(C)CCCC1(C)C
UNII:
A7NRR1HLH6
FEMA Number:
2595
RTECS Number:
EN0350000
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
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Properties