C1COCCC1I
CAS: 25637-18-7
Nom: 4-iodooxane
SMILES: C1COCCC1I

Molecular Processing

Molecular formula
C5H9IO
Molecular weight
212.03
Exact mass
211.9698
XLogP
1.6
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
37.86

Supplementary Information

InChIKey: JTRNQTFTRDPITG-UHFFFAOYSA-N
Synonymes
4-iodotetrahydro-2H-pyran25637-18-7DTXSID20383726RefChem:293594DTXCID40334750639-329-54-iodooxane4-IODOTETRAHYDROPYRAN4-iodo-tetrahydro-2H-pyran4-iodo-tetrahydropyranMFCD067974672H-PYRAN, TETRAHYDRO-4-IODO-4-Iodo-tetrahydro-pyran4-Iodooxacyclohexane4-IodopentahydropyranSCHEMBL172959JTRNQTFTRDPITG-UHFFFAOYSA-NSBB094571AKOS0052593544-iodo-2H-3,4,5,6-tetrahydropyran4-Iodotetrahydro-2H-pyran, AldrichCPRCS-W004278GS-3890PB13042SY004489EN300-104914F067477
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→