CAS
99-97-4 Purity
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99-97-4 Purity
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4,4-Dimethyl-2-pentyne
CAS
999-78-0
Catalog Number
ACM999780
Category
Other Products
Molecular Weight
96.17
Molecular Formula
C7H12
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Specification
Synonyms
4,4-Dimethyl-2-pentyne, 2-Pentyne, 4,4-dimethyl-, SBB008719, InChI=1/C7H12/c1-5-6-7(2,3)4/h1-4H, 999-78-0
IUPAC Name
4,4-dimethylpent-2-yne
InChI Key
FOALCTWKQSWRST-UHFFFAOYSA-N
Boiling Point
83ºC
Melting Point
-82.4ºC
Density
0.718
Exact Mass
96.09390
H-Bond Acceptor
0
H-Bond Donor
0
Packing Group
II
Safety Description
S16-S23-S33-S62
What is the molecular formula of 4,4-Dimethyl-2-pentyne?
The molecular formula of 4,4-Dimethyl-2-pentyne is C7H12.
How many synonyms are listed for 4,4-Dimethyl-2-pentyne in the reference?
There are multiple synonyms listed for 4,4-Dimethyl-2-pentyne, such as 4,4-dimethylpent-2-yne and tert-Butyl methyl acetylene.
What is the molecular weight of 4,4-Dimethyl-2-pentyne?
The molecular weight of 4,4-Dimethyl-2-pentyne is 96.17 g/mol.
What is the InChIKey for 4,4-Dimethyl-2-pentyne?
The InChIKey for 4,4-Dimethyl-2-pentyne is FOALCTWKQSWRST-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 4,4-Dimethyl-2-pentyne have?
4,4-Dimethyl-2-pentyne has 0 hydrogen bond donor counts.
What is the topological polar surface area of 4,4-Dimethyl-2-pentyne?
The topological polar surface area of 4,4-Dimethyl-2-pentyne is 0-2.
Is 4,4-Dimethyl-2-pentyne considered a canonicalized compound?
Yes, 4,4-Dimethyl-2-pentyne is considered a canonicalized compound.
How was the exact mass of 4,4-Dimethyl-2-pentyne computed in the reference?
The exact mass of 4,4-Dimethyl-2-pentyne was computed by PubChem 2.2.
How many rotatable bond counts does 4,4-Dimethyl-2-pentyne have?
4,4-Dimethyl-2-pentyne has 1 rotatable bond count.
What property value is assigned to the XLogP3-AA of 4,4-Dimethyl-2-pentyne?
The property value assigned to the XLogP3-AA of 4,4-Dimethyl-2-pentyne is 2.7.
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