chempirical

5,7-Dodecadiyne-1,12-diol

C12H18O2CAS 74602-32-7194.27 g/mol

Open in Covalent MOL file
HOOH
AlcoholAlkyne

Properties

Molecular formula
C12H18O2
Molar mass
194.27 g/mol
Exact mass
194.1307 Da
logP
1.32Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
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
74602-32-7
SMILES
C(CCO)CC#CC#CCCCCO
InChIKey
SEWYHOMCDKWYEF-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,5-12H2

Weigh it out

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Work with 5,7-Dodecadiyne-1,12-diol

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-Hexadecyn-1-ol65686-49-954 % similar 7-Hexadecyn-1-ol822-21-954 % similar 1,4-Butanediol110-63-450 % similar Polytetrahydrofuran25190-06-150 % similar 5-Hexyn-1-ol928-90-550 % similar 10-Undecyn-1-ol2774-84-748 % similar 6-Heptyn-1-ol63478-76-248 % similar 7-Octyn-1-ol871-91-048 % similar

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

Same formula

Hexylresorcinol136-77-6 1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-3 4-(Hexyloxy)phenol18979-55-0 [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-7 3,5-Di(propan-2-yl)phenyl hydroperoxide26762-93-6 α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-1 7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)37777-16-5 1-Adamantaneacetic acid4942-47-6

Elsewhere

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