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Cyclooctanone-2,2,8,8-d4

CAT: 0572-TRC-C987222-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C987222-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32454-50-5
Hazard Statement
No Data Available
Smiles
[2H]C1([2H])CCCCCC([2H])([2H])C1=O
Molecular Formula
C8 D4 H10 O
Molecular Weight
130.221
InChI
InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2/i6D2,7D2
Additionnal Information
IUPAC name: 2,2,8,8-tetradeuteriocyclooctan-1-one
Shipping Conditions
Room Temperature

Chemical Information

Cyclooctanone-2,2,8,8-d4
CAS Number32454-50-5
PubChem CID169436841
IUPAC Name2,2,8,8-tetradeuteriocyclooctan-1-one
Molecular FormulaC8H14O
Molecular Weight130.22
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity86
SMILES
[2H]C1(CCCCCC(C1=O)([2H])[2H])[2H]
InChI
InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2/i6D2,7D2
InChIKey
IIRFCWANHMSDCG-KXGHAPEVSA-N
Chemical Structure
2D Structure
2D structure of Cyclooctanone-2,2,8,8-d4
CAS: 32454-50-5
CID: 169436841
Formula: C8H14O
MW: 130.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.22
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass130.129572050
Monoisotopic Mass130.129572050
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity86.7
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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445324-01Cyclooctanone-2,2,8,8-d4
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CS-T-56644Imipramine-2,4,6,8-d4 Hydrochloride
TMIH-0030-012,2,14,14-tetramethyl-8-oxopentadecanedioic acid-d4
421002-01[2,8-Bis (trifluoromethyl) -4-quinolinyl]-2-pyridinylmethanone-d4
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