CAS
94071-06-4 Purity
96%
94071-06-4 Purity
96%
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(Z)-Hex-3-enyl 2-ethylbutyrate
CAS
94071-12-2
Catalog Number
ACM94071122
Category
Other Products
Molecular Weight
198.30188
Molecular Formula
C12H22O2
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Specification
Synonyms
(Z)-hex-3-enyl 2-ethylbutyrate;Butanoic acid, 2-ethyl-, 3-hexenyl ester, (Z)-;2-Ethylbutanoic acid (Z)-3-hexenyl ester;2-Ethylbutyric acid (Z)-3-hexenyl ester
IUPAC Name
[(Z)-hex-3-enyl] 2-ethylbutanoate
SMILES
CCC=CCCOC(=O)C(CC)CC
InChI Key
LFDWLVXNYKQQBT-FPLPWBNLSA-N
Boiling Point
251.2ºC at 760 mmHg
Flash Point
83.2ºC
Density
0.884g/cm³
EC Number
301-813-6
Exact Mass
198.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of (Z)-Hex-3-enyl 2-ethylbutyrate?
The molecular formula is C12H22O2.
When was the compound (Z)-Hex-3-enyl 2-ethylbutyrate created and last modified?
It was created on 2007-12-05 and last modified on 2023-12-30.
What is the IUPAC name of (Z)-Hex-3-enyl 2-ethylbutyrate?
The IUPAC name is [(Z)-hex-3-enyl] 2-ethylbutanoate.
What is the InChIKey of (Z)-Hex-3-enyl 2-ethylbutyrate?
The InChIKey is LFDWLVXNYKQQBT-FPLPWBNLSA-N.
How many hydrogen bond donor counts does (Z)-Hex-3-enyl 2-ethylbutyrate have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of (Z)-Hex-3-enyl 2-ethylbutyrate?
The XLogP3-AA value is 3.6.
What is the topological polar surface area of (Z)-Hex-3-enyl 2-ethylbutyrate?
The topological polar surface area is 26.3 Å^2.
How many rotatable bond counts does (Z)-Hex-3-enyl 2-ethylbutyrate have?
It has 8 rotatable bond counts.
How many defined bond stereocenter counts does (Z)-Hex-3-enyl 2-ethylbutyrate have?
It has 1 defined bond stereocenter count.
Is the compound (Z)-Hex-3-enyl 2-ethylbutyrate canonicalized?
Yes, the compound is canonicalized.
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