3-silylfuran-2-carbaldehyde

C5H6O2Si — CID 175804543

IUPAC3-silylfuran-2-carbaldehyde
SMILESO=Cc1occc1[SiH3]
InChIInChI=1S/C5H6O2Si/c6-3-4-5(8)1-2-7-4/h1-3H,8H3
InChIKeyDPMDKDYMTOJSFZ-UHFFFAOYSA-N
MW126.19 g/mol
LogP-0.92
Rot. Bonds1

About 3-silylfuran-2-carbaldehyde

3-silylfuran-2-carbaldehyde (PubChem CID 175804543) has the molecular formula C5H6O2Si and a molecular weight of 126.19 g/mol. Its IUPAC name is 3-silylfuran-2-carbaldehyde.

Molecular Properties

Compound Name3-silylfuran-2-carbaldehyde
PubChem CID175804543
Molecular FormulaC5H6O2Si
Molecular Weight126.19 g/mol
Exact Mass126.01
IUPAC Name3-silylfuran-2-carbaldehyde
SMILESO=Cc1occc1[SiH3]
InChIInChI=1S/C5H6O2Si/c6-3-4-5(8)1-2-7-4/h1-3H,8H3
InChIKeyDPMDKDYMTOJSFZ-UHFFFAOYSA-N
XLogP-0.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.19
LogP ≤ 5-0.92
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'}

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Related Compounds

Furfural
CID 7362
Furfuryl Alcohol
CID 7361
2-Methylfuran
CID 10797
Methyl 2-furoate
CID 11902
5-Methylfurfural
CID 12097
Furfural acetate
CID 12170
2-Acetylfuran
CID 14505
2-Furancarboxylic acid
CID 6919
Furfuryl butyrate
CID 61167
2-Furyl pentyl ketone
CID 61738
Propyl 2-furoate
CID 11982
Allyl furoate
CID 61337

Frequently Asked Questions

What is the IUPAC name of 3-silylfuran-2-carbaldehyde?
The IUPAC name of 3-silylfuran-2-carbaldehyde (CID 175804543) is 3-silylfuran-2-carbaldehyde.
What is the SMILES notation for 3-silylfuran-2-carbaldehyde?
The canonical SMILES for 3-silylfuran-2-carbaldehyde is O=Cc1occc1[SiH3].
What is the InChIKey of 3-silylfuran-2-carbaldehyde?
The InChIKey is DPMDKDYMTOJSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2Si/c6-3-4-5(8)1-2-7-4/h1-3H,8H3.
What are the key properties of 3-silylfuran-2-carbaldehyde?
3-silylfuran-2-carbaldehyde has a molecular weight of 126.19 g/mol, XLogP of -0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylfuran-2-carbaldehyde is sourced from PubChem (CID 175804543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).