(2E)-2-Pentene

CAS Number: 646-04-8
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CC/C=C/C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H10
Molecular Weight
70.1344
Drug-likeness
-6.0452
CAS
646-04-8
InChI key
QMMOXUPEWRXHJS-HWKANZROSA-N
SMILES
CC/C=C/C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 646-04-8
Molecule Name (2E)-2-Pentene
Molecular Formula C5H10
SMILES CC/C=C/C
InChI InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+
InChI Key QMMOXUPEWRXHJS-HWKANZROSA-N
CanonicalSyTyLFy 9a790fdb3657e512
TotalMolweight 70.1344
Molecular Weight 70.1344
MonoisotopicMass 70.07825
CLogP 2.0882
CLogS -1.566
TotalSurfaceArea 78.28
Drug-likeness -6.0452
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.50251
Molecular Complexity 0.34657
Fragments 1
Non HAtoms 5
Rotatable Bond 1
Sp3Atoms 3

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