trans-dioxasilacyclooctene

C5H9O2Si — CID 171378272

IUPAC—
SMILESC1=[Si]\CCCCOO/1
InChIInChI=1S/C5H9O2Si/c1-2-4-8-5-7-6-3-1/h5H,1-4H2
InChIKeyLFELLEZPMPPNAQ-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.61
Rot. Bonds

About trans-dioxasilacyclooctene

trans-dioxasilacyclooctene (PubChem CID 171378272) has the molecular formula C5H9O2Si and a molecular weight of 129.21 g/mol.

Molecular Properties

Compound Nametrans-dioxasilacyclooctene
PubChem CID171378272
Molecular FormulaC5H9O2Si
Molecular Weight129.21 g/mol
Exact Mass129.04
IUPAC Name—
SMILESC1=[Si]\CCCCOO/1
InChIInChI=1S/C5H9O2Si/c1-2-4-8-5-7-6-3-1/h5H,1-4H2
InChIKeyLFELLEZPMPPNAQ-UHFFFAOYSA-N
XLogP0.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trioxepane
CID 22026430
sodium;dioxane;hydroxide
CID 23667844
1,2,3-trioxacyclotridecane
CID 173021633
CID 22041968
CID 22041968
CID 18950106
CID 18950106
dioxolane;oxolane
CID 174271510
1,2,3,4,5-pentaoxacyclononadecane
CID 87887088
1,2,5-trioxonane
CID 59717904
CID 134902405
CID 134902405
azane;dioxolane
CID 173091565
1,2,5-trioxecane
CID 21461492
CID 23448373
CID 23448373

Frequently Asked Questions

What is the IUPAC name of trans-dioxasilacyclooctene?
The IUPAC name of trans-dioxasilacyclooctene (CID 171378272) is not available.
What is the SMILES notation for trans-dioxasilacyclooctene?
The canonical SMILES for trans-dioxasilacyclooctene is C1=[Si]\CCCCOO/1.
What is the InChIKey of trans-dioxasilacyclooctene?
The InChIKey is LFELLEZPMPPNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2Si/c1-2-4-8-5-7-6-3-1/h5H,1-4H2.
What are the key properties of trans-dioxasilacyclooctene?
trans-dioxasilacyclooctene has a molecular weight of 129.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-dioxasilacyclooctene is sourced from PubChem (CID 171378272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).