CAS
96841-04-2 Purity
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96841-04-2 Purity
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1,1-Dimethyl-5-methyleneheptyl isobutyrate
CAS
96846-64-9
Catalog Number
ACM96846649
Category
Other Products
Molecular Weight
226.355040 [g/mol]
Molecular Formula
C14H26O2
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Specification
Synonyms
EINECS 306-300-0, 1,1-Dimethyl-5-methyleneheptyl isobutyrate, 96846-64-9
IUPAC Name
(2-methyl-6-methylideneoctan-2-yl) 2-methylpropanoate
SMILES
CCC(=C)CCCC(C)(C)OC(=O)C(C)C
InChI Key
TVEVQXMPYUHNIH-UHFFFAOYSA-N
Boiling Point
283.3ºC at 760mmHg
Flash Point
85.3ºC
Density
0.875g/cm³
EC Number
306-300-0
Exact Mass
226.19300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1,1-Dimethyl-5-methyleneheptyl isobutyrate?
The molecular formula of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is C14H26O2.
When was 1,1-Dimethyl-5-methyleneheptyl isobutyrate created and modified in PubChem?
1,1-Dimethyl-5-methyleneheptyl isobutyrate was created on 2007-07-11 and modified on 2023-12-30 in PubChem.
What is the molecular weight of 1,1-Dimethyl-5-methyleneheptyl isobutyrate?
The molecular weight of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is 226.35 g/mol.
What is the IUPAC name of 1,1-Dimethyl-5-methyleneheptyl isobutyrate?
The IUPAC name of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is (2-methyl-6-methylideneoctan-2-yl) 2-methylpropanoate.
What is the Canonical SMILES representation of 1,1-Dimethyl-5-methyleneheptyl isobutyrate?
The Canonical SMILES representation of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is CCC(=C)CCCC(C)(C)OC(=O)C(C)C.
What is the InChIKey of 1,1-Dimethyl-5-methyleneheptyl isobutyrate?
The InChIKey of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is TVEVQXMPYUHNIH-UHFFFAOYSA-N.
How many hydrogen bond acceptor count does 1,1-Dimethyl-5-methyleneheptyl isobutyrate have?
1,1-Dimethyl-5-methyleneheptyl isobutyrate has 2 hydrogen bond acceptor count.
What is the topological polar surface area of 1,1-Dimethyl-5-methyleneheptyl isobutyrate?
The topological polar surface area of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is 26.3 Ų.
How many rotatable bond count does 1,1-Dimethyl-5-methyleneheptyl isobutyrate have?
1,1-Dimethyl-5-methyleneheptyl isobutyrate has 8 rotatable bond count.
Is 1,1-Dimethyl-5-methyleneheptyl isobutyrate a canonicalized compound?
Yes, 1,1-Dimethyl-5-methyleneheptyl isobutyrate is a canonicalized compound according to PubChem.
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