(2-Decyloxy)ethanol

CAS Number: 23238-40-6
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CCCCCCCCCCOCCO
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
C12H26O2
Molecular Weight
202.336
Drug-likeness
-27.895
CAS
23238-40-6
InChI key
CBVDPTYIDMQDEO-UHFFFAOYSA-N
SMILES
CCCCCCCCCCOCCO
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 23238-40-6
Molecule Name (2-Decyloxy)ethanol
Molecular Formula C12H26O2
SMILES CCCCCCCCCCOCCO
InChI InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h13H,2-12H2,1H3
InChI Key CBVDPTYIDMQDEO-UHFFFAOYSA-N
CanonicalSyTyLFy a0f90b1313276a50
TotalMolweight 202.336
Molecular Weight 202.336
MonoisotopicMass 202.19328
CLogP 3.5932
CLogS -2.558
H Acceptors 2
H Donors 1
TotalSurfaceArea 193.47
Relative PSA 0.1194
PolarSurfaceArea 29.46
Drug-likeness -27.895
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant low
Shape Index 1
Molecula Flexibility 0.57509
Molecular Complexity 0.34657
Fragments 1
Non HAtoms 14
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 11
Sp3Atoms 14

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