CAS
94291-80-2 Purity
96%
94291-80-2 Purity
96%
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1-[(3,7-Dimethyloct-6-enyl)oxy]-1-methoxyundecane
CAS
94291-87-9
Catalog Number
ACM94291879
Category
Other Products
Molecular Weight
340.583560 [g/mol]
Molecular Formula
C22H44O2
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Specification
Synonyms
EINECS 304-914-3, CID3024291, 1-((3,7-Dimethyloct-6-enyl)oxy)-1-methoxyundecane, 94291-87-9
IUPAC Name
1-(3,7-dimethyloct-6-enoxy)-1-methoxyundecane
Canonical SMILES
CCCCCCCCCCC(OC)OCCC(C)CCC=C(C)C
InChI Key
IRJKWMJAESWGCA-UHFFFAOYSA-N
Boiling Point
406.6ºC at 760mmHg
Flash Point
89.4ºC
Density
0.854g/cm³
EC Number
304-914-3
Exact Mass
340.33400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 3024291?
The molecular formula is C22H44O2.
When was the compound created in PubChem?
It was created on August 8, 2005.
What is the IUPAC name of the compound?
The IUPAC name is 1-(3,7-dimethyloct-6-enoxy)-1-methoxyundecane.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCCCCCCCCC(OC)OCCC(C)CCC=C(C)C.
What is the molecular weight of the compound?
The molecular weight is 340.6 g/mol.
How many hydrogen bond acceptor counts does the compound have?
It has 2 hydrogen bond acceptor counts.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area is 18.5 Ų.
How many rotatable bond counts does the compound have?
It has 17 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is IRJKWMJAESWGCA-UHFFFAOYSA-N.
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