CAS
94133-87-6 Purity
96%
94133-87-6 Purity
96%
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5,8,11-Trioxapentadeca-1,15-diyl diacetate
CAS
94133-97-8
Catalog Number
ACM94133978
Category
Other Products
Molecular Weight
334.405200 [g/mol]
Molecular Formula
C16H30O7
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Specification
Synonyms
EINECS 302-762-2, 5,8,11-Trioxapentadeca-1,15-diyl diacetate, 94133-97-8
IUPAC Name
4-[2-[2-(4-acetyloxybutoxy)ethoxy]ethoxy]butyl acetate
Canonical SMILES
CC(=O)OCCCCOCCOCCOCCCCOC(=O)C
InChI Key
ATHFLNGYVMMERW-UHFFFAOYSA-N
Boiling Point
397.9ºC at 760mmHg
Flash Point
170ºC
Density
1.049g/cm³
EC Number
302-762-2
Exact Mass
334.19900
H-Bond Acceptor
7
H-Bond Donor
0
What is the molecular formula of 5,8,11-Trioxapentadeca-1,15-diyl diacetate?
The molecular formula is C16H30O7.
What is the molecular weight of 5,8,11-Trioxapentadeca-1,15-diyl diacetate?
The molecular weight is 334.40 g/mol.
When was 5,8,11-Trioxapentadeca-1,15-diyl diacetate first created on PubChem?
It was first created on August 20, 2009.
What is the IUPAC name of 5,8,11-Trioxapentadeca-1,15-diyl diacetate?
The IUPAC name is 4-[2-[2-(4-acetyloxybutoxy)ethoxy]ethoxy]butyl acetate.
What is the InChI of 5,8,11-Trioxapentadeca-1,15-diyl diacetate?
The InChI is InChI=1S/C16H30O7/c1-15(17)22-9-5-3-7-19-11-13-21-14-12-20-8-4-6-10-23-16(2)18/h3-14H2,1-2H3.
How many hydrogen bond acceptors are there in the structure of 5,8,11-Trioxapentadeca-1,15-diyl diacetate?
There are 7 hydrogen bond acceptors.
What is the topological polar surface area of 5,8,11-Trioxapentadeca-1,15-diyl diacetate?
The topological polar surface area is 80.3 Ų.
How many rotatable bond counts are there in the molecule?
There are 18 rotatable bond counts.
Is 5,8,11-Trioxapentadeca-1,15-diyl diacetate a canonicalized compound?
Yes, it is canonicalized.
What is the CAS number of 5,8,11-Trioxapentadeca-1,15-diyl diacetate?
The CAS number is 94133-97-8.
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