CAS
94021-92-8 Purity
96%
94021-92-8 Purity
96%
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3,7-Dimethyloct-6-enyl 2-ethylbutyrate
CAS
94021-96-2
Catalog Number
ACM94021962
Category
Other Products
Molecular Weight
254.408200 [g/mol]
Molecular Formula
C16H30O2
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Specification
Synonyms
EINECS 301-488-0, 3,7-Dimethyloct-6-enyl 2-ethylbutyrate, CID3023293, 94021-96-2
IUPAC Name
3,7-dimethyloct-6-enyl 2-ethylbutanoate
Canonical SMILES
CCC(CC)C(=O)OCCC(C)CCC=C(C)C
InChI Key
RXKQGAANQROMQG-UHFFFAOYSA-N
Boiling Point
323.9ºC at 760mmHg
Flash Point
92.3ºC
Density
0.876g/cm³
EC Number
301-488-0
Exact Mass
254.22500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate?
The molecular formula is C16H30O2.
What is the molecular weight of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate?
The molecular weight is 254.41 g/mol.
What is the IUPAC name of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate?
The IUPAC name is 3,7-dimethyloct-6-enyl 2-ethylbutanoate.
What is the InChIKey of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate?
The InChIKey is RXKQGAANQROMQG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3,7-Dimethyloct-6-enyl 2-ethylbutyrate have?
It has 0 hydrogen bond donor count.
What is the XLogP3-AA value of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate?
The XLogP3-AA value is 5.5.
How many rotatable bond counts does 3,7-Dimethyloct-6-enyl 2-ethylbutyrate have?
It has 10 rotatable bond counts.
What is the topological polar surface area of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate?
The topological polar surface area is 26.3 Ų.
How many defined atom stereocenter counts does 3,7-Dimethyloct-6-enyl 2-ethylbutyrate have?
It has 0 defined atom stereocenter counts.
Is 3,7-Dimethyloct-6-enyl 2-ethylbutyrate considered canonicalized compound?
Yes, it is considered a canonicalized compound.
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