1-Methoxycyclohexene

C7H12OCAS 931-57-7112.17 g/mol

Open in Covalent MOL file
O
AlkeneEther

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
logP
2.09Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
931-57-7
SMILES
COC1=CCCCC1
InChIKey
HZFQGYWRFABYSR-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

Weigh it out

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

Work with 1-Methoxycyclohexene

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

1-(Trimethylsiloxy)cyclohexene6651-36-156 % similar 1-Cyclohexenyl acetate1424-22-252 % similar Methyl 1-cyclohexene-1-carboxylate18448-47-050 % similar 1-[(Trimethylsilyl)oxy]cyclopentene19980-43-946 % similar Methylcyclohexene591-49-142 % similar Dimethyladipate627-93-042 % similar Methyl cyclopent-1-ene-1-carboxylate25662-28-642 % similar Dimethyl sebacate106-79-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3,4-Dimethyl-1-pentyn-3-ol1482-15-1 3-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 Methylenecyclohexane oxide185-70-6 trans-2-Heptenal18829-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook