CAS
94201-08-8 Purity
96%
94201-08-8 Purity
96%
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1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate
CAS
94201-15-7
Catalog Number
ACM94201157
Category
Other Products
Molecular Weight
232.318100 [g/mol]
Molecular Formula
C15H20O2
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Specification
Synonyms
EINECS 303-597-9, 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate, 94201-15-7
IUPAC Name
(2-methyl-1-phenylpropan-2-yl) 3-methylbut-2-enoate
Canonical SMILES
CC(=CC(=O)OC(C)(C)CC1=CC=CC=C1)C
InChI Key
KHVDLHLSFANNEL-UHFFFAOYSA-N
Boiling Point
327.1ºC at 760mmHg
Flash Point
170.9ºC
Density
0.989g/cm³
EC Number
303-597-9
Exact Mass
232.14600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate?
The molecular formula of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate is C15H20O2.
When was the PubChem CID for 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate created?
The PubChem CID for 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate was created on July 11, 2007.
What is the IUPAC Name of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate?
The IUPAC Name of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate is (2-methyl-1-phenylpropan-2-yl) 3-methylbut-2-enoate.
What is the InChIKey of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate?
The InChIKey of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate is KHVDLHLSFANNEL-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate?
The Canonical SMILES of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate is CC(=CC(=O)OC(C)(C)CC1=CC=CC=C1)C.
How many hydrogen bond acceptors are there in 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate?
There are 2 hydrogen bond acceptors in 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate.
What is the topological polar surface area of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate?
The topological polar surface area of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate is 26.3 Å2.
How many rotatable bonds are there in 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate?
There are 5 rotatable bonds in 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate.
Is 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate a canonicalized compound?
Yes, 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate is a canonicalized compound.
What is the molecular weight of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate?
The molecular weight of 1,1-Dimethyl-2-phenylethyl 3-methyl-2-butenoate is 232.32 g/mol.
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