CAS
96844-74-5 Purity
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96844-74-5 Purity
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2-Methyl-6-methylene-2-octyl propionate
CAS
96846-66-1
Catalog Number
ACM96846661
Category
Other Products
Molecular Weight
212.328460 [g/mol]
Molecular Formula
C13H24O2
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Specification
Synonyms
EINECS 306-302-1, 2-Methyl-6-methylene-2-octyl propionate, 96846-66-1
IUPAC Name
(2-methyl-6-methylideneoctan-2-yl) propanoate
Canonical SMILES
CCC(=C)CCCC(C)(C)OC(=O)CC
InChI Key
TYPHWLKITZTPGB-UHFFFAOYSA-N
Boiling Point
315.1ºC at 760mmHg
Flash Point
212.2ºC
EC Number
306-302-1
Exact Mass
212.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Methyl-6-methylene-2-octyl propionate?
The molecular formula of 2-Methyl-6-methylene-2-octyl propionate is C13H24O2.
What is the molecular weight of 2-Methyl-6-methylene-2-octyl propionate?
The molecular weight of 2-Methyl-6-methylene-2-octyl propionate is 212.33 g/mol.
What is the IUPAC name of 2-Methyl-6-methylene-2-octyl propionate?
The IUPAC name of 2-Methyl-6-methylene-2-octyl propionate is (2-methyl-6-methylideneoctan-2-yl) propanoate.
What is the InChI of 2-Methyl-6-methylene-2-octyl propionate?
The InChI of 2-Methyl-6-methylene-2-octyl propionate is InChI=1S/C13H24O2/c1-6-11(3)9-8-10-13(4,5)15-12(14)7-2/h3,6-10H2,1-2,4-5H3.
What is the InChIKey of 2-Methyl-6-methylene-2-octyl propionate?
The InChIKey of 2-Methyl-6-methylene-2-octyl propionate is TYPHWLKITZTPGB-UHFFFAOYSA-N.
What is the canonical SMILES representation of 2-Methyl-6-methylene-2-octyl propionate?
The canonical SMILES representation of 2-Methyl-6-methylene-2-octyl propionate is CCC(=C)CCCC(C)(C)OC(=O)CC.
What is the CAS number of 2-Methyl-6-methylene-2-octyl propionate?
The CAS number of 2-Methyl-6-methylene-2-octyl propionate is 96846-66-1.
What is the XLogP3-AA value of 2-Methyl-6-methylene-2-octyl propionate?
The XLogP3-AA value of 2-Methyl-6-methylene-2-octyl propionate is 4.1.
How many hydrogen bond acceptors are present in 2-Methyl-6-methylene-2-octyl propionate?
There are 2 hydrogen bond acceptors present in 2-Methyl-6-methylene-2-octyl propionate.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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