CAS
96134-80-4 Purity
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96134-80-4 Purity
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1,2-CYCLOPROPANEDICARBOXYLIC ACID BIS [(1R, 2S, 5R)]-5-METHYL-2-(1-METHYLETHYL)
CAS
96149-00-7
Catalog Number
ACM96149007
Category
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Specification
Synonyms
1,2-CYCLOPROPANEDICARBOXYLIC ACID BIS [(1R, 2S, 5R)]-5-METHYL-2-(1-METHYLETHYL)
What is the molecular formula of 1,2-CYCLOPROPANEDICARBOXYLIC ACID BIS [(1R, 2S, 5R)]-5-METHYL-2-(1-METHYLETHYL)?
The molecular formula is C25H42O4.
When was the compound created and modified?
The compound was created on 2018-09-19 and modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-cyclopropane-1,2-dicarboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/C25H42O4/c1-14(2)18-9-7-16(5)11-22(18)28-24(26)20-13-21(20)25(27)29-23-12-17(6)8-10-19(23)15(3)4/h14-23H,7-13H2,1-6H3/t16-,17-,18+,19+,20+,21?,22-,23-/m0/s1.
What is the InChIKey of the compound?
The InChIKey is OKUZYZZYXCUVKO-DXKWTXBVSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC1CCC(C(C1)OC(=O)C2CC2C(=O)OC3CC(CCC3C(C)C)C)C(C)C.
How many rotatable bond counts does the compound have?
The compound has 8 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 52.6 Å2.
How many defined atom stereocenter counts does the compound have?
The compound has 7 defined atom stereocenter counts.
Is the compound's structure canonicalized?
Yes, the compound's structure is canonicalized according to PubChem.
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CAS
96141-86-5 Purity
96%
96141-86-5 Purity
96%
