CAS
97259-80-8 Purity
96%
97259-80-8 Purity
96%
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16-Methylheptadecyl(Z)-docos-13-enoate
CAS
97259-85-3
Catalog Number
ACM97259853
Category
Other Products
Molecular Weight
591.04612
Molecular Formula
C40H78O2
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Specification
Synonyms
EINECS 306-449-1, 16-Methylheptadecyl (Z)-docos-13-enoate, 97259-85-3
IUPAC Name
16-methylheptadecyl (Z)-docos-13-enoate
SMILES
CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C
InChI Key
BDYMKXOJTJMBDU-QXMHVHEDSA-N
Boiling Point
625ºC at 760mmHg
Flash Point
29.6ºC
Density
0.861g/cm³
EC Number
306-449-1
Exact Mass
590.60000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 16-Methylheptadecyl(Z)-docos-13-enoate?
The molecular formula is C40H78O2.
When was the compound created in PubChem?
It was created on December 5, 2007.
What is the molecular weight of 16-Methylheptadecyl(Z)-docos-13-enoate?
The molecular weight is 591.0 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 16-methylheptadecyl (Z)-docos-13-enoate.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C.
What is the XLogP3-AA value of 16-Methylheptadecyl(Z)-docos-13-enoate?
The XLogP3-AA value is 18.3.
How many hydrogen bond donor counts does the compound have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 16-Methylheptadecyl(Z)-docos-13-enoate?
The topological polar surface area is 26.3 Ų.
How many rotatable bond counts does the compound have?
It has 36 rotatable bond counts.
Is the compound considered canonicalized?
Yes, the compound is canonicalized.
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