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C12H20O4 | Cheminformatics
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2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane

Molecular Formula : C12H20O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane is a drug-like molecule.

MolName : 2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane

MolecularFormula : C12H20O4

Smiles : C(C/C=C/CCC1OCCO1)C1OCCO1

InChI : InChI=1S/C12H20O4/c1(3-5-11-13-7-8-14-11)2-4-6-12-15-9-10-16-12/h1-2,11-12H,3-10H2

InChIK : HOODLTWZYCVMGG-UHFFFAOYSA-N

TotalMolweight : 228.287

Molweight : 228.287

MonoisotopicMass : 228.13616

CLogP : 1.9136

CLogS : -1.794

H Acceptors : 4

TotalSurfaceArea : 188.08

Relative PSA : 0.21268

PolarSurfaceArea : 36.92

Druglikeness : -11.99

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.75

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Sp3Atoms : 14

Symmetricatoms : 10

StereoCon :

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1 - 2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane
2 - 2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane
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