(14R)-14-Methylhexadecan-1-ol

CAS Number: 642995-39-9
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CC[C@@H](C)CCCCCCCCCCCCCO
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C17H36O
Molecular Weight
256.472
Drug-likeness
-17.874
CAS
642995-39-9
InChI key
WQBUQCSTGAHNSM-QGZVFWFLSA-N
SMILES
CC[C@@H](C)CCCCCCCCCCCCCO
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 642995-39-9
Molecule Name (14R)-14-Methylhexadecan-1-ol
Molecular Formula C17H36O
SMILES CC[C@@H](C)CCCCCCCCCCCCCO
InChI InChI=1S/C17H36O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h17-18H,3-16H2,1-2H3/t17-/m1/s1
InChI Key WQBUQCSTGAHNSM-QGZVFWFLSA-N
CanonicalSyTyLFy a7d973fada19d2e4
TotalMolweight 256.472
Molecular Weight 256.472
MonoisotopicMass 256.276615
CLogP 6.6304
CLogS -4.417
H Acceptors 1
H Donors 1
TotalSurfaceArea 249.51
Relative PSA 0.052503
PolarSurfaceArea 20.23
Drug-likeness -17.874
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.94444
Molecula Flexibility 0.54363
Molecular Complexity 0.35499
Fragments 1
Non HAtoms 18
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 14
Sp3Atoms 18
StereoCon this enantiomer

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