2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine

C12H26O5Si2 — CID 100950891

IUPAC2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine
SMILESCCO[Si]1(OCC)CC=CC[Si](OCC)(OCC)O1
InChIInChI=1S/C12H26O5Si2/c1-5-13-18(14-6-2)11-9-10-12-19(17-18,15-7-3)16-8-4/h9-10H,5-8,11-12H2,1-4H3
InChIKeyGUDVQYUVLOJRPW-UHFFFAOYSA-N
MW306.51 g/mol
LogP2.60
Rot. Bonds8

About 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine

2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine (PubChem CID 100950891) has the molecular formula C12H26O5Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine.

Molecular Properties

Compound Name2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine
PubChem CID100950891
Molecular FormulaC12H26O5Si2
Molecular Weight306.51 g/mol
Exact Mass306.13
IUPAC Name2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine
SMILESCCO[Si]1(OCC)CC=CC[Si](OCC)(OCC)O1
InChIInChI=1S/C12H26O5Si2/c1-5-13-18(14-6-2)11-9-10-12-19(17-18,15-7-3)16-8-4/h9-10H,5-8,11-12H2,1-4H3
InChIKeyGUDVQYUVLOJRPW-UHFFFAOYSA-N
XLogP2.60
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine?
The IUPAC name of 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine (CID 100950891) is 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine.
What is the SMILES notation for 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine?
The canonical SMILES for 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine is CCO[Si]1(OCC)CC=CC[Si](OCC)(OCC)O1.
What is the InChIKey of 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine?
The InChIKey is GUDVQYUVLOJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si2/c1-5-13-18(14-6-2)11-9-10-12-19(17-18,15-7-3)16-8-4/h9-10H,5-8,11-12H2,1-4H3.
What are the key properties of 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine?
2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine has a molecular weight of 306.51 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine is sourced from PubChem (CID 100950891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).