3,3-Diethoxy-1-propanol

C7H16O3CAS 16777-87-0148.20 g/mol

Open in Covalent MOL file
OHOO
AcetalAlcoholEther

Properties

Molecular formula
C7H16O3
Molar mass
148.20 g/mol
Exact mass
148.1099 Da
logP
0.77Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

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
16777-87-0
SMILES
CCOC(CCO)OCC
InChIKey
ASERXEZXVIJBRO-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O3/c1-3-9-7(5-6-8)10-4-2/h7-8H,3-6H2,1-2H3

Weigh it out

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

Work with 3,3-Diethoxy-1-propanol

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

2,2-Diethoxyethanol621-63-657 % similar 3-Chloro-1,1-diethoxypropane35573-93-452 % similar 1-Amino-3,3-diethoxypropane41365-75-752 % similar 1,1,3-Triethoxypropane7789-92-652 % similar 1,1,3,3-Tetraethoxypropane122-31-650 % similar 1,1-Diethoxyhexane3658-93-350 % similar 4-Chlorobutyraldehyde diethyl acetal6139-83-948 % similar 4,4-Diethoxy-1-butanamine6346-09-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethylene glycol methyl ethyl ether1002-67-1 1,1,3-Trimethoxybutane10138-89-3 Triethyl orthoformate122-51-0 Dipropylene glycol monomethyl ether34590-94-8 1,3-Diethoxy-2-propanol4043-59-8 Trimethyl orthobutyrate43083-12-1 1,1,1-Trimethoxy-2-methylpropane52698-46-1

Elsewhere

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