CAS
97660-01-0 Purity
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97660-01-0 Purity
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![Benzenesulfonic acid,4-amino-,diazotized,coupled with 5,5'-oxybis[1,3-benzenediol],sodium salt](https://resource.alfa-chemistry.com/structure/97675-28-0.gif)
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6-(4-Phenylbutoxy)hexanal
CAS
97664-54-5
Catalog Number
ACM97664545
Category
Other Products
Molecular Weight
248.360560 [g/mol]
Molecular Formula
C16H24O2
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Specification
Synonyms
6-(4-phenylbutoxy)hexanal, SCHEMBL5383710, REAWJYMPCIAHCN-UHFFFAOYSA-N, DB-080471, 97664-54-5
IUPAC Name
6-(4-phenylbutoxy)hexanal
Canonical SMILES
C1=CC=C(C=C1)CCCCOCCCCCC=O
InChI Key
REAWJYMPCIAHCN-UHFFFAOYSA-N
Boiling Point
370.6±35.0 °C (760 mmHg)
Density
0.962±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
248.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the IUPAC name of the compound with PubChem CID 11368662?
The IUPAC name of the compound is 6-(4-phenylbutoxy)hexanal.
What is the molecular formula of the compound?
The molecular formula is C16H24O2.
What is the molecular weight of the compound?
The molecular weight is 248.36 g/mol.
What is the InChIKey of the compound?
The InChIKey is REAWJYMPCIAHCN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.3.
How many rotatable bond counts does the compound have?
The compound has 11 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 26.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound created and modified in PubChem?
The compound was created on 2006-10-26 and modified on 2023-12-30.
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