CAS
94213-54-4 Purity
96%
94213-54-4 Purity
96%
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(3,3-Dimethoxy-2,2-dimethylpropyl)cyclohexane
CAS
94213-58-8
Catalog Number
ACM94213588
Category
Other Products
Molecular Weight
214.34434
Molecular Formula
C13H26O2
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Specification
Synonyms
EINECS 303-763-0, CID3024047, (3,3-Dimethoxy-2,2-dimethylpropyl)cyclohexane, 94213-58-8
IUPAC Name
(3,3-dimethoxy-2,2-dimethylpropyl)cyclohexane
Canonical SMILES
CC(C)(CC1CCCCC1)C(OC)OC
InChI Key
WPUQECAAGCCMEZ-UHFFFAOYSA-N
Boiling Point
220.6ºC at 760mmHg
Flash Point
52.9ºC
Density
0.894g/cm³
EC Number
303-763-0
Exact Mass
214.19300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C13H26O2.
When was the compound created and last modified?
The compound was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (3,3-dimethoxy-2,2-dimethylpropyl)cyclohexane.
What is the InChIKey of the compound?
The InChIKey of the compound is WPUQECAAGCCMEZ-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in the compound?
There are 2 hydrogen bond acceptors in the compound.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.4.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 18.5 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bonds are there in the compound?
There are 5 rotatable bonds in the compound.
What is the exact mass of the compound?
The exact mass of the compound is 214.193280068 g/mol.
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