CAS
94278-39-4 Purity
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94278-39-4 Purity
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1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-3-methyl-
CAS
94278-43-0
Catalog Number
ACM94278430
Category
Other Products
Molecular Weight
224.33916
Molecular Formula
C14H24O2
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Specification
Synonyms
EINECS 304-734-5, 8-(1,1-Dimethylethyl)-3-methyl-1-oxaspiro(4.5)decan-2-one, 94278-43-0
IUPAC Name
8-tert-butyl-2-methyl-4-oxaspiro[4.5]decan-3-one
SMILES
CC1CC2(CCC(CC2)C(C)(C)C)OC1=O
InChI Key
RUDWYGPMFXMYJL-UHFFFAOYSA-N
Boiling Point
291.5ºC at 760 mmHg
Flash Point
118ºC
Density
0.98g/cm³
EC Number
304-734-5
Exact Mass
224.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Oxaspiro[4.5]decan-2-one, 8-(1,1-dimethylethyl)-3-methyl?
The molecular formula is C14H24O2.
When was this compound created and last modified?
It was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of 1-Oxaspiro[4.5]decan-2-one, 8-(1,1-dimethylethyl)-3-methyl?
The IUPAC name is 8-tert-butyl-3-methyl-1-oxaspiro[4.5]decan-2-one.
What is the InChIKey of this compound?
The InChIKey is RUDWYGPMFXMYJL-UHFFFAOYSA-N.
What is the canonical SMILES representation of this compound?
The canonical SMILES is CC1CC2(CCC(CC2)C(C)(C)C)OC1=O.
What is the molecular weight of this compound?
The molecular weight is 224.34 g/mol.
How many hydrogen bond donor counts does 1-Oxaspiro[4.5]decan-2-one, 8-(1,1-dimethylethyl)-3-methyl have?
It has 0 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 224.177630004 g/mol.
How many rotatable bond counts does this compound have?
It has 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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