N~1~,N~1~,N~1~,N~10~,N~10~,N~10~,4,4,7,7-Decamethyl-3,8-dioxa-4,7-disiladecane-1,10-bis(aminium) diiodide

CAS Number: 83454-20-0

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C[N+](C)(C)CCO[Si](C)(C)CC[Si](C)(C)OCC[N+](C)(C)C.[I-].[I-]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: high

Formula

I.I.C16H42N2O2Si2

Molecular Weight

350.693

Drug-likeness

-79.262

CAS

83454-20-0

InChI key

LGXNGLLWAPIMFE-UHFFFAOYSA-L

SMILES

C[N+](C)(C)CCO[Si](C)(C)CC[Si](C)(C)OCC[N+](C)(C)C.[I-].[I-]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: high | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	83454-20-0
Molecule Name	N~1~,N~1~,N~1~,N~10~,N~10~,N~10~,4,4,7,7-Decamethyl-3,8-dioxa-4,7-disiladecane-1,10-bis(aminium) diiodide
Molecular Formula	I.I.C16H42N2O2Si2
SMILES	C[N+](C)(C)CCO[Si](C)(C)CC[Si](C)(C)OCC[N+](C)(C)C.[I-].[I-]
InChI	InChI=1S/C16H42N2O2Si2.2HI/c1-17(2,3)11-13-19-21(7,8)15-16-22(9,10)20-14-12-18(4,5)6;;/h11-16H2,1-10H3;2*1H/q+2;;/p-2
InChI Key	LGXNGLLWAPIMFE-UHFFFAOYSA-L
CanonicalSyTyLFy	d92fd24d279b5b06
TotalMolweight	604.493
Molecular Weight	350.693
MonoisotopicMass	350.278482
CLogP	-3.3316
CLogS	-2.74
H Acceptors	4
TotalSurfaceArea	277.42
Relative PSA	0.017158
PolarSurfaceArea	18.46
Drug-likeness	-79.262
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	quart. ammonium
Shape Index	0.63636
Molecula Flexibility	0.84378
Molecular Complexity	0.51966
Fragments	3
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	4
Rotatable Bond	11
Sp3Atoms	20
Symmetricatoms	14
Amines	2
AlkylAmines	2

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