CAS
94133-51-4 Purity
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94133-51-4 Purity
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2-Methylpent-2-enyl isobutyrate
CAS
94133-56-9
Catalog Number
ACM94133569
Category
Other Products
Molecular Weight
170.248720 [g/mol]
Molecular Formula
C10H18O2
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Specification
Synonyms
2-Methylpent-2-enyl isobutyrate, EINECS 302-717-7, CID6366444, 94133-56-9
IUPAC Name
[(E)-2-methylpent-2-enyl] 2-methylpropanoate
Canonical SMILES
CCC=C(C)COC(=O)C(C)C
InChI Key
OVNNCFCHTKRDGZ-RMKNXTFCSA-N
Boiling Point
210.4ºC at 760mmHg
Flash Point
74.2ºC
Density
0.891g/cm³
EC Number
302-717-7
Exact Mass
170.13100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Methylpent-2-enyl isobutyrate?
The molecular formula of 2-Methylpent-2-enyl isobutyrate is C10H18O2.
When was the structure of 2-Methylpent-2-enyl isobutyrate created?
The structure of 2-Methylpent-2-enyl isobutyrate was created on August 8, 2005.
What is the IUPAC name of 2-Methylpent-2-enyl isobutyrate?
The IUPAC name of 2-Methylpent-2-enyl isobutyrate is [(E)-2-methylpent-2-enyl] 2-methylpropanoate.
What is the InChI of 2-Methylpent-2-enyl isobutyrate?
The InChI of 2-Methylpent-2-enyl isobutyrate is InChI=1S/C10H18O2/c1-5-6-9(4)7-12-10(11)8(2)3/h6,8H,5,7H2,1-4H3/b9-6+.
How many hydrogen bond donor counts are there in 2-Methylpent-2-enyl isobutyrate?
There are 0 hydrogen bond donor counts in 2-Methylpent-2-enyl isobutyrate.
What is the exact mass of 2-Methylpent-2-enyl isobutyrate?
The exact mass of 2-Methylpent-2-enyl isobutyrate is 170.130679813 g/mol.
How many rotatable bond counts are there in 2-Methylpent-2-enyl isobutyrate?
There are 5 rotatable bond counts in 2-Methylpent-2-enyl isobutyrate.
Is 2-Methylpent-2-enyl isobutyrate a canonicalized compound?
Yes, 2-Methylpent-2-enyl isobutyrate is a canonicalized compound.
What is the topological polar surface area of 2-Methylpent-2-enyl isobutyrate?
The topological polar surface area of 2-Methylpent-2-enyl isobutyrate is 26.3 Ų.
How many defined bond stereocenter counts are there in 2-Methylpent-2-enyl isobutyrate?
There is 1 defined bond stereocenter count in 2-Methylpent-2-enyl isobutyrate.
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