CAS
96846-73-0 Purity
96%
96846-73-0 Purity
96%
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1,1-Dimethyl-5-methyleneheptyl isovalerate
CAS
96846-76-3
Catalog Number
ACM96846763
Category
Other Products
Molecular Weight
240.381620 [g/mol]
Molecular Formula
C15H28O2
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Specification
Synonyms
1,1-Dimethyl-5-methyleneheptyl isovalerate, 96846-76-3, CTK3I8823, EINECS 306-312-6, AG-H-96164
IUPAC Name
(2-methyl-6-methylideneoctan-2-yl) 3-methylbutanoate
Canonical SMILES
CCC(=C)CCCC(C)(C)OC(=O)CC(C)C
InChI Key
YOUZPPOBZXKXHX-UHFFFAOYSA-N
Boiling Point
300.8ºC at 760mmHg
Flash Point
87ºC
Density
0.874g/cm³
EC Number
306-312-6
Exact Mass
240.20900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1,1-Dimethyl-5-methyleneheptyl isovalerate?
The molecular formula is C15H28O2.
What is the molecular weight of 1,1-Dimethyl-5-methyleneheptyl isovalerate?
The molecular weight is 240.38 g/mol.
What is the IUPAC name of 1,1-Dimethyl-5-methyleneheptyl isovalerate?
The IUPAC name is (2-methyl-6-methylideneoctan-2-yl) 3-methylbutanoate.
What is the InChI of 1,1-Dimethyl-5-methyleneheptyl isovalerate?
The InChI is InChI=1S/C15H28O2/c1-7-13(4)9-8-10-15(5,6)17-14(16)11-12(2)3/h12H,4,7-11H2,1-3,5-6H3.
What is the InChIKey of 1,1-Dimethyl-5-methyleneheptyl isovalerate?
The InChIKey is YOUZPPOBZXKXHX-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,1-Dimethyl-5-methyleneheptyl isovalerate?
The Canonical SMILES is CCC(=C)CCCC(C)(C)OC(=O)CC(C)C.
How many hydrogen bond donor counts does 1,1-Dimethyl-5-methyleneheptyl isovalerate have?
It has 0 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of 1,1-Dimethyl-5-methyleneheptyl isovalerate?
It has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does 1,1-Dimethyl-5-methyleneheptyl isovalerate have?
It has 9 rotatable bond counts.
Is 1,1-Dimethyl-5-methyleneheptyl isovalerate a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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