CAS
95491-05-7 Purity
96%
95491-05-7 Purity
96%
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(-)-Ethyl-(R)-2-hydroxy-4-cyclohexylbutyrate
CAS
95500-39-3
Catalog Number
ACM95500393
Category
Other Products
Molecular Weight
214.30
Molecular Formula
C12H22O3
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Specification
Synonyms
(-)-ETHYL-(R)-2-HYDROXY-4-CYCLOHEXYLBUTYRATE, SureCN10959638, CTK5H7778, AG-H-92912, 95500-39-3
IUPAC Name
ethyl (2R)-4-cyclohexyl-2-hydroxybutanoate
SMILES
CCOC(=O)C(CCC1CCCCC1)O
InChI Key
QBVDXURIWZBADP-LLVKDONJSA-N
Exact Mass
214.15700
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of (-)-Ethyl-(R)-2-hydroxy-4-cyclohexylbutyrate?
The molecular formula is C12H22O3.
What is the molecular weight of (-)-Ethyl-(R)-2-hydroxy-4-cyclohexylbutyrate?
The molecular weight is 214.30 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl (2R)-4-cyclohexyl-2-hydroxybutanoate.
What is the InChI of (-)-Ethyl-(R)-2-hydroxy-4-cyclohexylbutyrate?
The InChI is InChI=1S/C12H22O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h10-11,13H,2-9H2,1H3/t11-/m1/s1.
What is the InChIKey of the compound?
The InChIKey is QBVDXURIWZBADP-LLVKDONJSA-N.
What is the Canonical SMILES of (-)-Ethyl-(R)-2-hydroxy-4-cyclohexylbutyrate?
The Canonical SMILES is CCOC(=O)C(CCC1CCCCC1)O.
How many hydrogen bond donor count does (-)-Ethyl-(R)-2-hydroxy-4-cyclohexylbutyrate have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.3.
How many rotatable bond count does (-)-Ethyl-(R)-2-hydroxy-4-cyclohexylbutyrate have?
It has 6 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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