CAS
94265-96-0 Purity
96%
94265-96-0 Purity
96%
![Dipotassium p-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate](https://resource.alfa-chemistry.com/structure/94266-02-1.gif)
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(S)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate
CAS
94265-99-3
Catalog Number
ACM94265993
Category
Other Products
Molecular Weight
224.339160 [g/mol]
Molecular Formula
C14H24O2
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Specification
Synonyms
(S)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate, 94265-99-3, CTK5H6143, EINECS 304-405-6, AG-H-89002
IUPAC Name
[(3S)-3,7-dimethylocta-1,6-dien-3-yl] 2-methylpropanoate
Canonical SMILES
CC(C)C(=O)OC(C)(CCC=C(C)C)C=C
InChI Key
JZIARAQCPRDGAC-CQSZACIVSA-N
Boiling Point
261.3ºC at 760mmHg
Flash Point
73.3ºC
Density
0.89g/cm³
EC Number
304-405-6
Exact Mass
224.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of (S)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate?
The molecular formula is C14H24O2.
When was (S)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate first created in PubChem?
It was first created on November 8, 2008.
What is the molecular weight of (S)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate?
The molecular weight is 224.34 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [(3S)-3,7-dimethylocta-1,6-dien-3-yl] 2-methylpropanoate.
What is the InChIKey of (S)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate?
The InChIKey is JZIARAQCPRDGAC-CQSZACIVSA-N.
How many hydrogen bond donors are present in the compound?
There are 0 hydrogen bond donors.
How many rotatable bonds are present in the compound?
There are 7 rotatable bonds.
What is the topological polar surface area of (S)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate?
The topological polar surface area is 26.3 Ų.
How many defined atom stereocenters are present in the compound?
There is 1 defined atom stereocenter.
Is (S)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate a canonicalized compound?
Yes, the compound is canonicalized.
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CAS
94266-01-0 Purity
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96%
