1,1-diethoxyethane;stannane

C6H18O2Sn — CID 87529398

IUPAC1,1-diethoxyethane;stannane
SMILESCCOC(C)OCC.[SnH4]
InChIInChI=1S/C6H14O2.Sn.4H/c1-4-7-6(3)8-5-2;;;;;/h6H,4-5H2,1-3H3;;;;;
InChIKeyDDJWESRBLWQOTL-UHFFFAOYSA-N
MW240.92 g/mol
LogP-0.05
Rot. Bonds4

About 1,1-diethoxyethane;stannane

1,1-diethoxyethane;stannane (PubChem CID 87529398) has the molecular formula C6H18O2Sn and a molecular weight of 240.92 g/mol. Its IUPAC name is 1,1-diethoxyethane;stannane.

Molecular Properties

Compound Name1,1-diethoxyethane;stannane
PubChem CID87529398
Molecular FormulaC6H18O2Sn
Molecular Weight240.92 g/mol
Exact Mass242.03
IUPAC Name1,1-diethoxyethane;stannane
SMILESCCOC(C)OCC.[SnH4]
InChIInChI=1S/C6H14O2.Sn.4H/c1-4-7-6(3)8-5-2;;;;;/h6H,4-5H2,1-3H3;;;;;
InChIKeyDDJWESRBLWQOTL-UHFFFAOYSA-N
XLogP-0.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.92
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;sulfane
CID 87563963
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
carbonic acid;1,1-diethoxyethane
CID 87827362
1,1,1-trichloro-3-(1-ethoxyethoxy)propane
CID 173130931
1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87172794
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
1,1-diethoxyethane;2-methylpropanedial
CID 88830026

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;stannane?
The IUPAC name of 1,1-diethoxyethane;stannane (CID 87529398) is 1,1-diethoxyethane;stannane.
What is the SMILES notation for 1,1-diethoxyethane;stannane?
The canonical SMILES for 1,1-diethoxyethane;stannane is CCOC(C)OCC.[SnH4].
What is the InChIKey of 1,1-diethoxyethane;stannane?
The InChIKey is DDJWESRBLWQOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.Sn.4H/c1-4-7-6(3)8-5-2;;;;;/h6H,4-5H2,1-3H3;;;;;.
What are the key properties of 1,1-diethoxyethane;stannane?
1,1-diethoxyethane;stannane has a molecular weight of 240.92 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;stannane is sourced from PubChem (CID 87529398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).