CID 102113996

C20H38F2O8Sn — CID 102113996

IUPAC—
SMILES[CH2]C1COCCOCCOCCOC1.[CH2]C1COCCOCCOCCOC1.[F-].[F-].[Sn+2]
InChIInChI=1S/2C10H19O4.2FH.Sn/c2*1-10-8-13-6-4-11-2-3-12-5-7-14-9-10;;;/h2*10H,1-9H2;2*1H;/q;;;;+2/p-2
InChIKeySSKILIBVKITCFS-UHFFFAOYSA-L
MW563.22 g/mol
LogP-5.34
Rot. Bonds

About CID 102113996

CID 102113996 (PubChem CID 102113996) has the molecular formula C20H38F2O8Sn and a molecular weight of 563.22 g/mol.

Molecular Properties

Compound NameCID 102113996
PubChem CID102113996
Molecular FormulaC20H38F2O8Sn
Molecular Weight563.22 g/mol
Exact Mass564.16
IUPAC Name—
SMILES[CH2]C1COCCOCCOCCOC1.[CH2]C1COCCOCCOCCOC1.[F-].[F-].[Sn+2]
InChIInChI=1S/2C10H19O4.2FH.Sn/c2*1-10-8-13-6-4-11-2-3-12-5-7-14-9-10;;;/h2*10H,1-9H2;2*1H;/q;;;;+2/p-2
InChIKeySSKILIBVKITCFS-UHFFFAOYSA-L
XLogP-5.34
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.22
LogP ≤ 5-5.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

18-(1,4,7,10,13,16-hexaoxacyclononadec-18-yl)-1,4,7,10,13,16-hexaoxacyclononadecane
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1,4-dioxane
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3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
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9,10-dimethyl-1,4,7-trioxacycloundecane
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1,4-dioxane;silver
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CID 87641547
1,4-dioxane;stannane
CID 174822243
2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 58827418
potassium;1,4-dioxane;hydroxide
CID 70357034
cyclobutane;1,4-dioxane
CID 160886837
dilithium;hydride;1,4,7,10,13-pentaoxacyclopentadecane
CID 173287985
[(3S)-oxolan-3-yl]azanium
CID 40602812

Frequently Asked Questions

What is the IUPAC name of CID 102113996?
The IUPAC name of CID 102113996 (CID 102113996) is not available.
What is the SMILES notation for CID 102113996?
The canonical SMILES for CID 102113996 is [CH2]C1COCCOCCOCCOC1.[CH2]C1COCCOCCOCCOC1.[F-].[F-].[Sn+2].
What is the InChIKey of CID 102113996?
The InChIKey is SSKILIBVKITCFS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H19O4.2FH.Sn/c2*1-10-8-13-6-4-11-2-3-12-5-7-14-9-10;;;/h2*10H,1-9H2;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 102113996?
CID 102113996 has a molecular weight of 563.22 g/mol, XLogP of -5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102113996 is sourced from PubChem (CID 102113996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).