Menu

[5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] (E)-3-phenylprop-2-enoate

Formula:C27H34O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] (E)-3-phenylprop-2-enoate is a drug-like molecule.
MolName[5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] (E)-3-phenylprop-2-enoate
MolecularFormulaC27H34O7
SmilesO=C(/C=C/c1ccccc1)OC1C2OC3(CCCCC3)OC2OC1C1OC2(CCCCC2)OC1
InChIInChI=1S/C27H34O7/c28-21(13-12-19-10-4-1-5-11-19)30-23-22(20-18-29-26(32-20)14-6-2-7-15-26)31-25-24(23)33-27(34-25)16-8-3-9-17-27/h1,4-5,10-13,20,22-25H,2-3,6-9,14-18H2
InChIKYMNWZTLIICAIHI-UHFFFAOYSA-N
TotalMolweight470.56
Molweight470.56
MonoisotopicMass470.230455
CLogP3.5243
CLogS-5.431
H Acceptors7
TotalSurfaceArea344.69
Relative PSA0.2119
PolarSurfaceArea72.45
Druglikeness-7.0017
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.47059
Fragments1
Non HAtoms34
NonCHAtoms7
Electronegative Atoms7
StereoCenters5
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms24
Symmetricatoms6
StereoConunknown chirality

Request More Details | [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] (E)-3-phenylprop-2-enoate


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments