CAS
93963-07-6 Purity
96%
93963-07-6 Purity
96%
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4-Cyclohexyl-3,3-dimethylbutan-2-one
CAS
93963-12-3
Catalog Number
ACM93963123
Category
Other Products
Molecular Weight
182.302480 [g/mol]
Molecular Formula
C12H22O
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Specification
Synonyms
EINECS 300-752-2, 4-Cyclohexyl-3,3-dimethylbutan-2-one, CID3023082, 93963-12-3
IUPAC Name
4-cyclohexyl-3,3-dimethylbutan-2-one
Canonical SMILES
CC(=O)C(C)(C)CC1CCCCC1
InChI Key
MQIJHKKGQRWBMT-UHFFFAOYSA-N
EC Number
300-752-2
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C12H22O.
What are some synonyms for the compound?
Some synonyms for the compound are 4-Cyclohexyl-3,3-dimethylbutan-2-one, EINECS 300-752-2, and 93963-12-3.
What is the molecular weight of the compound?
The molecular weight of the compound is 182.30 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-cyclohexyl-3,3-dimethylbutan-2-one.
What is the InChIKey of the compound?
The InChIKey of the compound is MQIJHKKGQRWBMT-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts are there in the compound?
There is 1 hydrogen bond acceptor count in the compound.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.9.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 17.1 Å^2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound last modified in the PubChem database?
The compound was last modified on December 30, 2023, in the PubChem database.
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