CAS
94248-75-6 Purity
96%
94248-75-6 Purity
96%
![N-[2-[(1R,4S)-6-[[4-(Cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]acetamide methanesulfonate(1:1)](https://resource.alfa-chemistry.com/structure/942487-63-0.gif)
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Isodecyl 7-methyloctanoate
CAS
94248-77-8
Catalog Number
ACM94248778
Category
Other Products
Molecular Weight
298.503820 [g/mol]
Molecular Formula
C19H38O2
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Specification
Synonyms
Isodecyl 7-methyloctanoate, 8-methylnonyl 7-methyloctanoate, EINECS 304-351-3, CID11959730, 94248-77-8
IUPAC Name
8-methylnonyl 7-methyloctanoate
Canonical SMILES
CC(C)CCCCCCCOC(=O)CCCCCC(C)C
InChI Key
KNFLPSSGNFAMDP-UHFFFAOYSA-N
EC Number
304-351-3
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Isodecyl 7-methyloctanoate?
The molecular formula of Isodecyl 7-methyloctanoate is C19H38O2.
When was Isodecyl 7-methyloctanoate created in PubChem?
Isodecyl 7-methyloctanoate was created in PubChem on December 11, 2006.
What is the IUPAC name of Isodecyl 7-methyloctanoate?
The IUPAC name of Isodecyl 7-methyloctanoate is 8-methylnonyl 7-methyloctanoate.
What is the canonical SMILES of Isodecyl 7-methyloctanoate?
The canonical SMILES of Isodecyl 7-methyloctanoate is CC(C)CCCCCCCOC(=O)CCCCCC(C)C.
What is the molecular weight of Isodecyl 7-methyloctanoate?
The molecular weight of Isodecyl 7-methyloctanoate is 298.5 g/mol.
How many hydrogen bond donor counts does Isodecyl 7-methyloctanoate have?
Isodecyl 7-methyloctanoate has 0 hydrogen bond donor counts.
What is the topological polar surface area of Isodecyl 7-methyloctanoate?
The topological polar surface area of Isodecyl 7-methyloctanoate is 26.3 Å2.
How many rotatable bond counts does Isodecyl 7-methyloctanoate have?
Isodecyl 7-methyloctanoate has 15 rotatable bond counts.
Is Isodecyl 7-methyloctanoate a canonicalized compound?
Yes, Isodecyl 7-methyloctanoate is a canonicalized compound.
What is the InChIKey of Isodecyl 7-methyloctanoate?
The InChIKey of Isodecyl 7-methyloctanoate is KNFLPSSGNFAMDP-UHFFFAOYSA-N.
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