1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-3-methyl-

CAS
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CAS
94278-43-0
Size
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Purity
96%
Price
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Catalog Number

ACM94278430

Product Name

1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-3-methyl-

Structure

Structure

CAS

94278-43-0

Category

Heterocyclic Organic Compound

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

Molecular Weight

224.33916

Molecular Formula

C₁₄H₂₄O₂

Canonical 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

MSDS

COA

Spec Sheet

Download Spec Sheet

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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