7-Methoxy-3,7-dimethyloctanal

C₁₁H₂₂O₂CAS 3613-30-7186.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₂O₂
Molar mass: 186.29 g/mol
Exact mass: 186.1620 Da
Boiling point: 60 °C (at 0.45 Torr)
logP: 2.81Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Identifiers

CAS number

3613-30-7

SMILES

COC(C)(C)CCCC(C)CC=O

InChIKey

IDWULKZGRNHZNR-UHFFFAOYSA-N

InChI

InChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3

Weigh it out

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

Names and synonyms

6 names

Octanal, 7-methoxy-3,7-dimethyl-
Methoxydihydrocitronellal
7-Methoxy-3,7-dimethyl-1-octanal
7-Methoxycitronellal
Methoxycitronellal
7-Methoxy-6,7-dihydrocitronellal

Work with 7-Methoxy-3,7-dimethyloctanal

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

Hydroxycitronellal107-75-559 % similar Methoprene40596-69-851 % similar 3-Methylpentanedial6280-15-544 % similar 3,5,5-Trimethylhexanal5435-64-343 % similar Citronellal106-23-039 % similar (R)-Citronellal2385-77-539 % similar (S)-Citronellal5949-05-339 % similar 3-Methoxy-3-methyl-1-butanol56539-66-335 % similar

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

Same formula

Hexyl 2-methylbutanoate10032-15-2 Methyl decanoate110-42-9 Undecylic acid112-37-8 Ethyl nonanoate123-29-5 2,2-Dimethylnonanoic acid14250-75-0 Nonyl acetate143-13-5 Isoamyl hexanoate2198-61-0 2-Ethylhexyl glycidyl ether2461-15-6

Elsewhere

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