CAS
94158-15-3 Purity
96%
94158-15-3 Purity
96%
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Isobutyl cis-3-octyloxiran-2-octanoate
CAS
94158-21-1
Catalog Number
ACM94158211
Category
Other Products
Molecular Weight
354.567080 [g/mol]
Molecular Formula
C22H42O3
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Specification
Synonyms
EINECS 303-092-3, Isobutyl cis-3-octyloxiran-2-octanoate, 94158-21-1
IUPAC Name
2-methylpropyl 8-[(2R,3S)-3-octyloxiran-2-yl]octanoate
Canonical SMILES
CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(C)C
InChI Key
RLZMLCOLHSMIMU-LEWJYISDSA-N
EC Number
303-092-3
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Isobutyl cis-3-octyloxiran-2-octanoate?
The molecular formula of Isobutyl cis-3-octyloxiran-2-octanoate is C22H42O3.
When was Isobutyl cis-3-octyloxiran-2-octanoate created and modified according to PubChem?
Isobutyl cis-3-octyloxiran-2-octanoate was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of Isobutyl cis-3-octyloxiran-2-octanoate?
The IUPAC name of Isobutyl cis-3-octyloxiran-2-octanoate is 2-methylpropyl 8-[(2R,3S)-3-octyloxiran-2-yl]octanoate.
What is the InChIKey of Isobutyl cis-3-octyloxiran-2-octanoate?
The InChIKey of Isobutyl cis-3-octyloxiran-2-octanoate is RLZMLCOLHSMIMU-LEWJYISDSA-N.
How many hydrogen bond acceptor counts does Isobutyl cis-3-octyloxiran-2-octanoate have?
Isobutyl cis-3-octyloxiran-2-octanoate has 3 hydrogen bond acceptor counts.
What is the exact mass of Isobutyl cis-3-octyloxiran-2-octanoate?
The exact mass of Isobutyl cis-3-octyloxiran-2-octanoate is 354.31339520 g/mol.
How many rotatable bond counts does Isobutyl cis-3-octyloxiran-2-octanoate have?
Isobutyl cis-3-octyloxiran-2-octanoate has 18 rotatable bond counts.
What is the topological polar surface area of Isobutyl cis-3-octyloxiran-2-octanoate?
The topological polar surface area of Isobutyl cis-3-octyloxiran-2-octanoate is 38.8 Å2.
Does Isobutyl cis-3-octyloxiran-2-octanoate have any defined atom stereocenter count?
Yes, Isobutyl cis-3-octyloxiran-2-octanoate has 2 defined atom stereocenter counts.
How many covalently-bonded unit counts does Isobutyl cis-3-octyloxiran-2-octanoate have?
Isobutyl cis-3-octyloxiran-2-octanoate has 1 covalently-bonded unit count.
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