(2-methylpropan-2-yl)oxy dipropan-2-yl phosphate

CAS Number: 10160-46-0
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CC(C)OP(OC(C)C)(OOC(C)(C)C)=O
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C10H23O5P
Molecular Weight
254.262
Drug-likeness
-34.597
CAS
10160-46-0
InChI key
AHGNZFUBYKYXFK-UHFFFAOYSA-N
SMILES
CC(C)OP(OC(C)C)(OOC(C)(C)C)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10160-46-0
Molecule Name (2-methylpropan-2-yl)oxy dipropan-2-yl phosphate
Molecular Formula C10H23O5P
SMILES CC(C)OP(OC(C)C)(OOC(C)(C)C)=O
InChI InChI=1S/C10H23O5P/c1-8(2)12-16(11,13-9(3)4)15-14-10(5,6)7/h8-9H,1-7H3
InChI Key AHGNZFUBYKYXFK-UHFFFAOYSA-N
CanonicalSyTyLFy 58417aa252d89e71
TotalMolweight 254.262
Molecular Weight 254.262
MonoisotopicMass 254.128312
CLogP 2.8618
CLogS -2.104
H Acceptors 5
TotalSurfaceArea 198.5
Relative PSA 0.28725
PolarSurfaceArea 63.8
Drug-likeness -34.597
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions peroxo
Shape Index 0.5
Molecula Flexibility 0.81616
Molecular Complexity 0.46544
Fragments 1
Non HAtoms 16
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 7
Sp3Atoms 15
Symmetricatoms 7

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