CAS
940865-64-5 Purity
96%
940865-64-5 Purity
96%
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3,4-Dimethyloct-6-enyl isobutyrate
CAS
94086-62-1
Catalog Number
ACM94086621
Category
Other Products
Molecular Weight
226.355040 [g/mol]
Molecular Formula
C14H26O2
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Specification
Synonyms
EINECS 301-850-8, 3,4-Dimethyloct-6-enyl isobutyrate, CID6366382, 94086-62-1
IUPAC Name
[(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate
Canonical SMILES
CC=CCC(C)C(C)CCOC(=O)C(C)C
InChI Key
ZJHFTQIXQYXSCQ-VOTSOKGWSA-N
Boiling Point
285.9ºC at 760mmHg
Flash Point
87ºC
Density
0.877g/cm³
EC Number
301-850-8
Exact Mass
226.19300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3,4-Dimethyloct-6-enyl isobutyrate?
The molecular formula of 3,4-Dimethyloct-6-enyl isobutyrate is C14H26O2.
When was 3,4-Dimethyloct-6-enyl isobutyrate created in PubChem?
3,4-Dimethyloct-6-enyl isobutyrate was created in PubChem on May 29, 2009.
What is the IUPAC Name of 3,4-Dimethyloct-6-enyl isobutyrate?
The IUPAC Name of 3,4-Dimethyloct-6-enyl isobutyrate is [(3S)-3,7-dimethyloct-6-enyl] 2-methylpropanoate.
How many hydrogen bond acceptor counts are there in 3,4-Dimethyloct-6-enyl isobutyrate?
There are 2 hydrogen bond acceptor counts in 3,4-Dimethyloct-6-enyl isobutyrate.
What is the exact mass of 3,4-Dimethyloct-6-enyl isobutyrate?
The exact mass of 3,4-Dimethyloct-6-enyl isobutyrate is 226.193280068 g/mol.
How many rotatable bond counts are there in 3,4-Dimethyloct-6-enyl isobutyrate?
There are 8 rotatable bond counts in 3,4-Dimethyloct-6-enyl isobutyrate.
What is the molecular weight of 3,4-Dimethyloct-6-enyl isobutyrate?
The molecular weight of 3,4-Dimethyloct-6-enyl isobutyrate is 226.35 g/mol.
How many defined atom stereocenter counts are there in 3,4-Dimethyloct-6-enyl isobutyrate?
There is 1 defined atom stereocenter count in 3,4-Dimethyloct-6-enyl isobutyrate.
Is 3,4-Dimethyloct-6-enyl isobutyrate a covalently-bonded unit?
Yes, 3,4-Dimethyloct-6-enyl isobutyrate is a covalently-bonded unit.
What is the InChIKey of 3,4-Dimethyloct-6-enyl isobutyrate?
The InChIKey of 3,4-Dimethyloct-6-enyl isobutyrate is ZGPPERKMXSGYRK-ZDUSSCGKSA-N.
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