CAS
94138-97-3 Purity
96%
94138-97-3 Purity
96%
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Cyclooct-4-enyl isobutyrate
CAS
94139-02-3
Catalog Number
ACM94139023
Category
Other Products
Molecular Weight
196.286000 [g/mol]
Molecular Formula
C12H20O2
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Specification
Synonyms
Cyclooct-4-enyl isobutyrate, EINECS 303-016-9, CID6366469, 94139-02-3
IUPAC Name
[(4Z)-cyclooct-4-en-1-yl] 2-methylpropanoate
SMILES
CC(C)C(=O)OC1CCCC=CCC1
InChI Key
WDZBGDCYTPOXNK-ARJAWSKDSA-N
Boiling Point
254.2ºC at 760mmHg
Flash Point
99.1ºC
Density
0.95g/cm³
EC Number
303-016-9
Exact Mass
196.14600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Cyclooct-4-enyl isobutyrate according to the reference?
The molecular formula of Cyclooct-4-enyl isobutyrate is C12H20O2.
When was Cyclooct-4-enyl isobutyrate created and modified according to the reference?
Cyclooct-4-enyl isobutyrate was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC name of Cyclooct-4-enyl isobutyrate according to the reference?
The IUPAC name of Cyclooct-4-enyl isobutyrate is [(4Z)-cyclooct-4-en-1-yl] 2-methylpropanoate.
What is the InChIKey of Cyclooct-4-enyl isobutyrate according to the reference?
The InChIKey of Cyclooct-4-enyl isobutyrate is WDZBGDCYTPOXNK-ARJAWSKDSA-N.
What is the Canonical SMILES of Cyclooct-4-enyl isobutyrate according to the reference?
The Canonical SMILES of Cyclooct-4-enyl isobutyrate is CC(C)C(=O)OC1CCCC=CCC1.
What is the molecular weight of Cyclooct-4-enyl isobutyrate according to the reference?
The molecular weight of Cyclooct-4-enyl isobutyrate is 196.29 g/mol.
How many hydrogen bond donor counts does Cyclooct-4-enyl isobutyrate have according to the reference?
Cyclooct-4-enyl isobutyrate has 0 hydrogen bond donor counts.
What is the topological polar surface area of Cyclooct-4-enyl isobutyrate according to the reference?
The topological polar surface area of Cyclooct-4-enyl isobutyrate is 26.3 Ų.
How many rotatable bond counts does Cyclooct-4-enyl isobutyrate have according to the reference?
Cyclooct-4-enyl isobutyrate has 3 rotatable bond counts.
Is Cyclooct-4-enyl isobutyrate considered canonicalized according to the reference?
Yes, Cyclooct-4-enyl isobutyrate is considered canonicalized.
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