2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde

C13H22O2Si — CID 19019881

IUPAC2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde
SMILESCC[Si](CC)(CC)c1oc(C)c(C=O)c1C
InChIInChI=1S/C13H22O2Si/c1-6-16(7-2,8-3)13-10(4)12(9-14)11(5)15-13/h9H,6-8H2,1-5H3
InChIKeyZTBDTYWLNVDEKS-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.42
Rot. Bonds5

About 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde

2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde (PubChem CID 19019881) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde
PubChem CID19019881
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde
SMILESCC[Si](CC)(CC)c1oc(C)c(C=O)c1C
InChIInChI=1S/C13H22O2Si/c1-6-16(7-2,8-3)13-10(4)12(9-14)11(5)15-13/h9H,6-8H2,1-5H3
InChIKeyZTBDTYWLNVDEKS-UHFFFAOYSA-N
XLogP3.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde?
The IUPAC name of 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde (CID 19019881) is 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde.
What is the SMILES notation for 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde?
The canonical SMILES for 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde is CC[Si](CC)(CC)c1oc(C)c(C=O)c1C.
What is the InChIKey of 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde?
The InChIKey is ZTBDTYWLNVDEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-6-16(7-2,8-3)13-10(4)12(9-14)11(5)15-13/h9H,6-8H2,1-5H3.
What are the key properties of 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde?
2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde has a molecular weight of 238.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-triethylsilylfuran-3-carbaldehyde is sourced from PubChem (CID 19019881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).