CAS
94247-51-5 Purity
96%
94247-51-5 Purity
96%
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4-(4-Methylcyclohexyl)hydrogen 2-octadecenylsuccinate
CAS
94247-57-1
Catalog Number
ACM94247571
Category
Other Products
Molecular Weight
464.720780 [g/mol]
Molecular Formula
C29H52O4
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Specification
Synonyms
EINECS 304-226-3, 4-(4-Methylcyclohexyl) hydrogen 2-octadecenylsuccinate, 94247-57-1
IUPAC Name
(E)-2-[2-(4-methylcyclohexyl)oxy-2-oxoethyl]icos-4-enoic acid
Canonical SMILES
CCCCCCCCCCCCCCCC=CCC(CC(=O)OC1CCC(CC1)C)C(=O)O
InChI Key
CZPKNAHWABNAFE-ISLYRVAYSA-N
EC Number
304-226-3
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound indicated by PubChem CID 44148255?
The molecular formula is C29H52O4.
When was the compound created in PubChem?
The compound was created on August 20, 2009.
What is the molecular weight of the compound?
The molecular weight is 464.7 g/mol.
What are some synonyms of the compound?
Some synonyms include EINECS 304-226-3, 4-(4-Methylcyclohexyl) hydrogen 2-octadecenylsuccinate, and 94247-57-1.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCCCCCCCCCCCCC=CCC(CC(=O)OC1CCC(CC1)C)C(=O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA of the compound?
The XLogP3-AA is 10.5.
How many rotatable bond counts does the compound have?
The compound has 21 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 63.6 Ų.
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