oxirane-2-carbaldehyde;silane

C3H8O2Si — CID 173157957

IUPACoxirane-2-carbaldehyde;silane
SMILESO=CC1CO1.[SiH4]
InChIInChI=1S/C3H4O2.H4Si/c4-1-3-2-5-3;/h1,3H,2H2;1H4
InChIKeyFQFCWYTZICFFJY-UHFFFAOYSA-N
MW104.18 g/mol
LogP-1.87
Rot. Bonds1

About oxirane-2-carbaldehyde;silane

oxirane-2-carbaldehyde;silane (PubChem CID 173157957) has the molecular formula C3H8O2Si and a molecular weight of 104.18 g/mol. Its IUPAC name is oxirane-2-carbaldehyde;silane.

Molecular Properties

Compound Nameoxirane-2-carbaldehyde;silane
PubChem CID173157957
Molecular FormulaC3H8O2Si
Molecular Weight104.18 g/mol
Exact Mass104.03
IUPAC Nameoxirane-2-carbaldehyde;silane
SMILESO=CC1CO1.[SiH4]
InChIInChI=1S/C3H4O2.H4Si/c4-1-3-2-5-3;/h1,3H,2H2;1H4
InChIKeyFQFCWYTZICFFJY-UHFFFAOYSA-N
XLogP-1.87
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxirane-2-carbaldehyde;silane?
The IUPAC name of oxirane-2-carbaldehyde;silane (CID 173157957) is oxirane-2-carbaldehyde;silane.
What is the SMILES notation for oxirane-2-carbaldehyde;silane?
The canonical SMILES for oxirane-2-carbaldehyde;silane is O=CC1CO1.[SiH4].
What is the InChIKey of oxirane-2-carbaldehyde;silane?
The InChIKey is FQFCWYTZICFFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.H4Si/c4-1-3-2-5-3;/h1,3H,2H2;1H4.
What are the key properties of oxirane-2-carbaldehyde;silane?
oxirane-2-carbaldehyde;silane has a molecular weight of 104.18 g/mol, XLogP of -1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane-2-carbaldehyde;silane is sourced from PubChem (CID 173157957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).