CAS
96843-21-9 Purity
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96843-21-9 Purity
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1,1-Dimethyl-5-methyleneheptyl valerate
CAS
96846-65-0
Catalog Number
ACM96846650
Category
Other Products
Molecular Weight
240.381620 [g/mol]
Molecular Formula
C15H28O2
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Specification
Synonyms
EINECS 306-301-6, 1,1-Dimethyl-5-methyleneheptyl valerate, 96846-65-0
IUPAC Name
(2-methyl-6-methylideneoctan-2-yl) pentanoate
Canonical SMILES
CCCCC(=O)OC(C)(C)CCCC(=C)CC
InChI Key
AHRBCOJLJNGMPZ-UHFFFAOYSA-N
Boiling Point
305.3ºC at 760mmHg
Flash Point
90ºC
Density
0.875g/cm³
EC Number
306-301-6
Exact Mass
240.20900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1,1-Dimethyl-5-methyleneheptyl valerate?
The molecular formula of 1,1-Dimethyl-5-methyleneheptyl valerate is C15H28O2.
What is the molecular weight of 1,1-Dimethyl-5-methyleneheptyl valerate?
The molecular weight of 1,1-Dimethyl-5-methyleneheptyl valerate is 240.38 g/mol.
What is the IUPAC name of 1,1-Dimethyl-5-methyleneheptyl valerate?
The IUPAC name of 1,1-Dimethyl-5-methyleneheptyl valerate is (2-methyl-6-methylideneoctan-2-yl) pentanoate.
What is the InChI of 1,1-Dimethyl-5-methyleneheptyl valerate?
The InChI of 1,1-Dimethyl-5-methyleneheptyl valerate is InChI=1S/C15H28O2/c1-6-8-11-14(16)17-15(4,5)12-9-10-13(3)7-2/h3,6-12H2,1-2,4-5H3.
What is the InChIKey of 1,1-Dimethyl-5-methyleneheptyl valerate?
The InChIKey of 1,1-Dimethyl-5-methyleneheptyl valerate is AHRBCOJLJNGMPZ-UHFFFAOYSA-N.
What is the canonical SMILES of 1,1-Dimethyl-5-methyleneheptyl valerate?
The canonical SMILES of 1,1-Dimethyl-5-methyleneheptyl valerate is CCCCC(=O)OC(C)(C)CCCC(=C)CC.
What is the CAS number of 1,1-Dimethyl-5-methyleneheptyl valerate?
The CAS number of 1,1-Dimethyl-5-methyleneheptyl valerate is 96846-65-0.
What is the XLogP3-AA value of 1,1-Dimethyl-5-methyleneheptyl valerate?
The XLogP3-AA value of 1,1-Dimethyl-5-methyleneheptyl valerate is 5.
How many hydrogen bond acceptors are there in 1,1-Dimethyl-5-methyleneheptyl valerate?
There are 2 hydrogen bond acceptors in 1,1-Dimethyl-5-methyleneheptyl valerate.
Is 1,1-Dimethyl-5-methyleneheptyl valerate a canonicalized compound?
Yes, 1,1-Dimethyl-5-methyleneheptyl valerate is a canonicalized compound.
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