CAS
898794-62-2 Purity
96%
898794-62-2 Purity
96%
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Cyclopentyl 2-(2,4-dimethylphenyl)ethyl ketone
CAS
898794-68-8
Catalog Number
ACM898794688
Category
Other Products
Molecular Weight
230.35
Molecular Formula
C16H22O
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Specification
Synonyms
CYCLOPENTYL 2-(2,4-DIMETHYLPHENYL)ETHYL KETONE
IUPAC Name
1-cyclopentyl-3-(2,4-dimethylphenyl)propan-1-one
Canonical SMILES
CC1=CC(=C(C=C1)CCC(=O)C2CCCC2)C
InChI Key
KTGQSARPYDONIQ-UHFFFAOYSA-N
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 24726321?
The molecular formula is C16H22O.
What is the molecular weight of the compound?
The molecular weight is 230.34 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-cyclopentyl-3-(2,4-dimethylphenyl)propan-1-one.
What is the InChI of the compound?
The InChI is InChI=1S/C16H22O/c1-12-7-8-14(13(2)11-12)9-10-16(17)15-5-3-4-6-15/h7-8,11,15H,3-6,9-10H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey is KTGQSARPYDONIQ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC1=CC(=C(C=C1)CCC(=O)C2CCCC2)C.
What is the CAS number of the compound?
The CAS number is 898794-68-8.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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