CAS
898793-12-9 Purity
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898793-12-9 Purity
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Ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate
CAS
898793-15-2
Catalog Number
ACM898793152
Category
Other Products
Molecular Weight
290.4
Molecular Formula
C18H26O3
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Specification
Synonyms
ETHYL 8-(3,4-DIMETHYLPHENYL)-8-OXOOCTANOATE
IUPAC Name
ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate
Canonical SMILES
CCOC(=O)CCCCCCC(=O)C1=CC(=C(C=C1)C)C
InChI Key
ZAYSXCIHFYBBDE-UHFFFAOYSA-N
Boiling Point
410.4ºC at 760 mmHg
Flash Point
177.9ºC
Density
1.004g/cm³
Exact Mass
290.18800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?
The molecular formula is C18H26O3.
What is the molecular weight of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?
The molecular weight is 290.4 g/mol.
When was ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate created and modified in PubChem?
It was created on February 29, 2008, and modified on December 30, 2023.
What is the IUPAC name of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?
The IUPAC name is ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate.
What is the InChI of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?
InChI=1S/C18H26O3/c1-4-21-18(20)10-8-6-5-7-9-17(19)16-12-11-14(2)15(3)13-16/h11-13H,4-10H2,1-3H3.
What is the InChIKey of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?
The InChIKey is ZAYSXCIHFYBBDE-UHFFFAOYSA-N.
What is the canonical SMILES representation of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?
CCOC(=O)CCCCCCC(=O)C1=CC(=C(C=C1)C)C.
How many hydrogen bond acceptors does ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate have?
It has 3 hydrogen bond acceptors.
What is the XLogP3-AA value of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?
The XLogP3-AA value is 4.3.
Is ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate a canonicalized compound in PubChem?
Yes, ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate is a canonicalized compound in PubChem.
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