CAS
94088-79-6 Purity
96%
94088-79-6 Purity
96%
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Hexadecyl 6-methylheptanoate
CAS
94088-84-3
Catalog Number
ACM94088843
Category
Other Products
Molecular Weight
368.63672
Molecular Formula
C24H48O2
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Specification
Synonyms
Cetyl isooctanoate, Hexadecyl isooctanoate, Hexadecyl 6-methylheptanoate, EINECS 276-724-8, EINECS 302-087-3, CID528356, 72585-97-8, 94088-84-3
IUPAC Name
hexadecyl 6-methylheptanoate
Canonical SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCC(C)C
InChI Key
OIKBVOIOVNEVJR-UHFFFAOYSA-N
Boiling Point
407.2±13.0 °C (760 mmHg)
Density
0.860±0.06 g/cm³ (20 °C, 760 mmHg)
EC Number
276-724-8
Exact Mass
368.36500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Hexadecyl 6-methylheptanoate?
The molecular formula of Hexadecyl 6-methylheptanoate is C24H48O2.
What is the molecular weight of Hexadecyl 6-methylheptanoate?
The molecular weight of Hexadecyl 6-methylheptanoate is 368.6 g/mol.
What is the IUPAC name of Hexadecyl 6-methylheptanoate?
The IUPAC name of Hexadecyl 6-methylheptanoate is hexadecyl 6-methylheptanoate.
What is the InChI of Hexadecyl 6-methylheptanoate?
The InChI of Hexadecyl 6-methylheptanoate is InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-24(25)21-18-17-20-23(2)3/h23H,4-22H2,1-3H3.
What is the InChIKey of Hexadecyl 6-methylheptanoate?
The InChIKey of Hexadecyl 6-methylheptanoate is OIKBVOIOVNEVJR-UHFFFAOYSA-N.
What is the canonical SMILES of Hexadecyl 6-methylheptanoate?
The canonical SMILES of Hexadecyl 6-methylheptanoate is CCCCCCCCCCCCCCCCOC(=O)CCCCC(C)C.
What is the CAS number of Hexadecyl 6-methylheptanoate?
The CAS number of Hexadecyl 6-methylheptanoate is 94088-84-3.
What is the XLogP3-AA value of Hexadecyl 6-methylheptanoate?
The XLogP3-AA value of Hexadecyl 6-methylheptanoate is 10.6.
How many hydrogen bond donor counts are there in Hexadecyl 6-methylheptanoate?
There are 0 hydrogen bond donor counts in Hexadecyl 6-methylheptanoate.
How many rotatable bond counts are there in Hexadecyl 6-methylheptanoate?
There are 21 rotatable bond counts in Hexadecyl 6-methylheptanoate.
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