CAS
94247-21-9 Purity
96%
94247-21-9 Purity
96%
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Isohexadecyl docosanoate
CAS
94247-28-6
Catalog Number
ACM94247286
Category
Other Products
Molecular Weight
565.00884
Molecular Formula
C38H76O2
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Specification
Synonyms
Isohexadecyl docosanoate, EINECS 304-205-9, 94247-28-6
IUPAC Name
14-methylpentadecyl docosanoate
Canonical SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
InChI Key
QSPIWLSLJAVCNC-UHFFFAOYSA-N
EC Number
304-205-9
Exact Mass
564.58500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Isohexadecyl docosanoate?
Molecular formula: C38H76O2
What is the molecular weight of Isohexadecyl docosanoate?
Molecular weight: 565.0 g/mol
What are some synonyms for Isohexadecyl docosanoate?
Synonyms: isocetyl behenate, 94247-28-6, UNII-JGD5498E0G
What is the IUPAC name of Isohexadecyl docosanoate?
IUPAC name: 14-methylpentadecyl docosanoate
What is the InChI of Isohexadecyl docosanoate?
InChI: InChI=1S/C38H76O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-38(39)40-36-33-30-27-24-21-18-19-22-25-28-31-34-37(2)3/h37H,4-36H2,1-3H3
What is the InChIKey of Isohexadecyl docosanoate?
InChIKey: QSPIWLSLJAVCNC-UHFFFAOYSA-N
What is the Canonical SMILES of Isohexadecyl docosanoate?
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
What is the CAS number of Isohexadecyl docosanoate?
CAS number: 94247-28-6
How many rotatable bonds does Isohexadecyl docosanoate have?
Rotatable Bond Count: 35
Is Isohexadecyl docosanoate a canonicalized compound?
Compound Is Canonicalized: Yes
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