Cyclooctanone

C₈H₁₄OCAS 502-49-8126.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄O
Molar mass: 126.20 g/mol
Exact mass: 126.1045 Da
Density: 0.9584 g/mL (at 20 °C)
Melting point: 29 °C
Boiling point: 196 °C
logP: 2.30Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

502-49-8

SMILES

O=C1CCCCCCC1

InChIKey

IIRFCWANHMSDCG-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

1 names

NSC 9475

Work with Cyclooctanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclohexanone108-94-1100 % similar Cyclopentadecanone502-72-7100 % similar Cyclododecanone830-13-7100 % similar Cyclohexanone-formaldehyde copolymer25054-06-271 % similar 11-Heneicosanone19781-72-767 % similar Hexyl ketone462-18-067 % similar Nonyl ketone504-57-467 % similar Civetone542-46-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,5-Dimethyl-1-hexyn-3-ol107-54-0 Sulcatone110-93-0 3-Octyn-1-ol14916-80-4 3-Octen-2-one1669-44-9 2-(5-Hexen-1-yl)oxirane19600-63-6 2-Octyn-1-ol20739-58-6 Cyclohexyl vinyl ether2182-55-0 (E)-2-Octenal2548-87-0

Elsewhere

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