CAS
93919-47-2 Purity
96%
93919-47-2 Purity
96%
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Octahydro-5,5-dimethylnaphthalene-1-methyl acetate
CAS
93919-51-8
Catalog Number
ACM93919518
Category
Other Products
Molecular Weight
236.349860 [g/mol]
Molecular Formula
C15H24O2
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Specification
Synonyms
AC1MIE04, Octahydro-5,5-dimethylnaphthalene-1-methyl acetate, EINECS 300-034-9, (5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl acetate, 93919-51-8
IUPAC Name
(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl acetate
Canonical SMILES
CC(=O)OCC1CCCC2=C1CCCC2(C)C
InChI Key
SPHWOTDTYVMNCC-UHFFFAOYSA-N
Boiling Point
307.5ºC at 760 mmHg
Flash Point
106.8ºC
Density
1g/cm³
EC Number
300-034-9
Exact Mass
236.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?
The molecular formula is C15H24O2.
When was Octahydro-5,5-dimethylnaphthalene-1-methyl acetate created in PubChem?
It was created on 2005-08-08.
What is the IUPAC name of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?
The IUPAC name is (5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl acetate.
What is the InChIKey of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?
The InChIKey is SPHWOTDTYVMNCC-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts are there in Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?
There are 2 hydrogen bond acceptor counts.
What is the topological polar surface area of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?
The topological polar surface area is 26.3 Ų.
Is Octahydro-5,5-dimethylnaphthalene-1-methyl acetate considered to be canonicalized?
Yes, it is considered canonicalized.
What is the XLogP3-AA value of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?
The XLogP3-AA value is 3.3.
What is the exact mass of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?
The exact mass is 236.177630004 g/mol.
How many rotatable bonds are there in Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?
There are 3 rotatable bonds.
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