CAS
94231-46-6 Purity
96%
94231-46-6 Purity
96%
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2-[2-(2,2,3-Trimethyl-3-cyclopenten-1-yl)ethylidene]-1-pentyl acetate
CAS
94231-49-9
Catalog Number
ACM94231499
Category
Other Products
Molecular Weight
264.403020 [g/mol]
Molecular Formula
C17H28O2
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Specification
Synonyms
EINECS 303-867-6, 2-(2-(2,2,3-Trimethyl-3-cyclopenten-1-yl)ethylidene)-1-pentyl acetate, 94231-49-9
IUPAC Name
[(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentyl] acetate
InChI Key
FFFXWLJHHCOJRG-OQLLNIDSSA-N
Boiling Point
330.2ºC at 760mmHg
Flash Point
150.6ºC
Density
0.916g/cm³
Exact Mass
264.20900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound described in the reference?
The molecular formula is C17H28O2.
What are the synonyms of the compound?
The synonyms are EINECS 303-867-6 and 94231-49-9.
What is the molecular weight of the compound?
The molecular weight is 264.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentyl] acetate.
What is the InChI of the compound?
The InChI is InChI=1S/C17H28O2/c1-6-7-15(12-19-14(3)18)9-11-16-10-8-13(2)17(16,4)5/h8-9,16H,6-7,10-12H2,1-5H3/b15-9+.
What is the InChIKey of the compound?
The InChIKey is FFFXWLJHHCOJRG-OQLLNIDSSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 7 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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