(3,3-Dimethoxycyclobutyl)methanol

C₇H₁₄O₃CAS 175021-11-1146.19 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₇H₁₄O₃
Molar mass: 146.19 g/mol
Exact mass: 146.0943 Da
logP: 0.38Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H227 Combustible liquid100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

175021-11-1

SMILES

COC1(CC(C1)CO)OC

InChIKey

PPZLOPBUFOFNKE-UHFFFAOYSA-N

InChI

InChI=1S/C7H14O3/c1-9-7(10-2)3-6(4-7)5-8/h6,8H,3-5H2,1-2H3

Weigh it out

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

Work with (3,3-Dimethoxycyclobutyl)methanol

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

(3,3-Difluorocyclobutyl)methanol681128-39-242 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-338 % similar (2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-538 % similar Oxetan-3-ylmethanol6246-06-636 % similar 2-Ethyl-1-butanol97-95-036 % similar Cyclohexanedimethanol105-08-835 % similar Cyclopropanemethanol2516-33-835 % similar trans-1,4-Cyclohexanedimethanol3236-48-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glycidaldehyde diethyl acetal13269-77-7 n-Butyl lactate138-22-7 3-(tert-Butoxy)propionic acid21150-73-2 Methyl 3-hydroxyhexanoate21188-58-9 2-(Oxan-2-yloxy)ethan-1-ol2162-31-4 Tetrahydrofurfuryl polyethylene glycol31692-85-0 (4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-5 Butyl (2S)-2-hydroxypropanoate34451-19-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook