CAS
94135-08-7 Purity
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94135-08-7 Purity
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2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one
CAS
94135-11-2
Catalog Number
ACM94135112
Category
Other Products
Molecular Weight
224.339160 [g/mol]
Molecular Formula
C14H24O2
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Specification
Synonyms
EINECS 302-879-9, CID3023705, 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one, 94135-11-2
IUPAC Name
2-hexyl-3-(2-oxopropyl)cyclopentan-1-one
SMILES
CCCCCCC1C(CCC1=O)CC(=O)C
InChI Key
GKRBJMBHXBOAAL-UHFFFAOYSA-N
Boiling Point
329.6ºC at 760mmHg
Flash Point
123.5ºC
Density
0.934g/cm³
EC Number
302-879-9
Exact Mass
224.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one?
The molecular formula is C14H24O2.
When was 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one first created in PubChem?
It was first created on August 8, 2005.
What is the InChIKey of 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one?
The InChIKey is GKRBJMBHXBOAAL-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one have?
It has 2 hydrogen bond acceptors.
What is the exact mass of 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one?
The exact mass is 224.177630004 g/mol.
How many rotatable bonds does 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one have?
It has 7 rotatable bonds.
What is the topological polar surface area of 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one?
The topological polar surface area is 34.1 Å2.
How many defined atom stereocenters does 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one have?
It has 0 defined atom stereocenters.
Is 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one canonicalized as a compound in PubChem?
Yes, it is canonicalized as a compound.
What is the complexity value of 2-Hexyl-3-(2-oxopropyl)cyclopentan-1-one?
The complexity value is 245.
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