18-Pentatriacontanone

C₃₅H₇₀OCAS 504-53-0506.94 g/mol

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Properties

Molecular formula: C₃₅H₇₀O
Molar mass: 506.94 g/mol
Exact mass: 506.5427 Da
Melting point: 89 °C
logP: 13.08Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 32

Hazards

Warning

H315 Causes skin irritation37.1% of notifiers
H319 Causes serious eye irritation37.1% of notifiers
H335 May cause respiratory irritation36.5% of notifiers

Aggregated from 178 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

504-53-0

SMILES

CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC

InChIKey

DMCJFWXGXUEHFD-UHFFFAOYSA-N

InChI

InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3

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Names and synonyms

7 names

Stearone
Di-n-heptadecyl ketone
Heptadecyl ketone
Diheptadecyl ketone
EP 2036-18
Wax KS
NSC 83612

Reactions

STEARONE (18-Pentatriacontanone)product

Work with 18-Pentatriacontanone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

11-Heneicosanone19781-72-7100 % similar Hexyl ketone462-18-0100 % similar Nonyl ketone504-57-4100 % similar 14-Heptacosanone542-50-7100 % similar Diheptyl ketone818-23-5100 % similar 5-Dodecanone19780-10-095 % similar 6-Undecanone927-49-194 % similar 4-Undecanone14476-37-090 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook