CAS
94201-11-3 Purity
96%
94201-11-3 Purity
96%
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3-(2-Methoxyethylidene)-1,1,5-trimethylcyclohexane
CAS
94201-18-0
Catalog Number
ACM94201180
Category
Other Products
Molecular Weight
182.302480 [g/mol]
Molecular Formula
C12H22O
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Specification
Synonyms
3-(2-Methoxyethylidene)-1,1,5-trimethylcyclohexane, 94201-18-0, AGN-PC-00IZW9, CTK5H5679, AG-H-88170, (3E)-3-(2-methoxyethylidene)-1,1,5-trimethylcyclohexane
IUPAC Name
3-(2-methoxyethylidene)-1,1,5-trimethylcyclohexane
Canonical SMILES
CC1CC(=CCOC)CC(C1)(C)C
InChI Key
UWIFFJDQTKPKGO-UHFFFAOYSA-N
Boiling Point
225.9ºC at 760mmHg
Flash Point
77ºC
Density
0.889g/cm³
EC Number
303-601-9
Exact Mass
182.16700
H-Bond Acceptor
1
H-Bond Donor
0
What is the IUPAC name of the compound with PubChem CID 11971331?
The IUPAC name is (3E)-3-(2-methoxyethylidene)-1,1,5-trimethylcyclohexane.
What is the InChIKey of the compound?
The InChIKey is UWIFFJDQTKPKGO-VZUCSPMQSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass of the compound is 182.167065321 g/mol.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 9.2 Å^2.
How many heavy atoms are present in the compound?
There are 13 heavy atoms in the compound.
Does the compound have any defined atom stereocenter counts?
The compound does not have any defined atom stereocenter counts.
How complex is the compound based on its complexity value?
The complexity value is 191, indicating a moderate level of complexity.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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CAS
94201-24-8 Purity
96%
94201-24-8 Purity
96%
