CAS
94277-30-2 Purity
96%
94277-30-2 Purity
96%
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2-Octyldodecyl heptanoate
CAS
94277-33-5
Catalog Number
ACM94277335
Category
Other Products
Molecular Weight
410.7165
Molecular Formula
C27H54O2
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Specification
Synonyms
2-Octyldodecyl heptanoate, EINECS 304-616-3, CID3024206, 94277-33-5
IUPAC Name
2-octyldodecyl heptanoate
Canonical SMILES
CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCC
InChI Key
CJSAUJNKQOIYJQ-UHFFFAOYSA-N
Boiling Point
443.9ºC at 760mmHg
Flash Point
226.7ºC
Density
0.859g/cm³
EC Number
304-616-3
Exact Mass
410.41200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Octyldodecyl heptanoate?
The molecular formula of 2-Octyldodecyl heptanoate is C27H54O2.
What is the molecular weight of 2-Octyldodecyl heptanoate?
The molecular weight of 2-Octyldodecyl heptanoate is 410.7 g/mol.
What is the IUPAC name for 2-Octyldodecyl heptanoate?
The IUPAC name for 2-Octyldodecyl heptanoate is 2-octyldodecyl heptanoate.
What is the InChI of 2-Octyldodecyl heptanoate?
The InChI of 2-Octyldodecyl heptanoate is InChI=1S/C27H54O2/c1-4-7-10-13-15-16-18-20-23-26(22-19-17-14-11-8-5-2)25-29-27(28)24-21-12-9-6-3/h26H,4-25H2,1-3H3.
What is the InChIKey of 2-Octyldodecyl heptanoate?
The InChIKey of 2-Octyldodecyl heptanoate is CJSAUJNKQOIYJQ-UHFFFAOYSA-N.
What is the canonical SMILES representation of 2-Octyldodecyl heptanoate?
The canonical SMILES representation of 2-Octyldodecyl heptanoate is CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCC.
How many hydrogen bond donor counts are in 2-Octyldodecyl heptanoate?
There are 0 hydrogen bond donor counts in 2-Octyldodecyl heptanoate.
How many rotatable bond counts are in 2-Octyldodecyl heptanoate?
There are 24 rotatable bond counts in 2-Octyldodecyl heptanoate.
What is the exact mass of 2-Octyldodecyl heptanoate?
The exact mass of 2-Octyldodecyl heptanoate is 410.412380961 g/mol.
Is 2-Octyldodecyl heptanoate considered canonicalized in terms of compound structure?
Yes, 2-Octyldodecyl heptanoate is considered canonicalized in terms of compound structure.
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