4-[dimethyl(propan-2-yl)silyl]benzaldehyde

C12H18OSi — CID 57438509

IUPAC4-[dimethyl(propan-2-yl)silyl]benzaldehyde
SMILESCC(C)[Si](C)(C)c1ccc(C=O)cc1
InChIInChI=1S/C12H18OSi/c1-10(2)14(3,4)12-7-5-11(9-13)6-8-12/h5-10H,1-4H3
InChIKeyITFPDGXBMXCTPF-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.82
Rot. Bonds3

About 4-[dimethyl(propan-2-yl)silyl]benzaldehyde

4-[dimethyl(propan-2-yl)silyl]benzaldehyde (PubChem CID 57438509) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 4-[dimethyl(propan-2-yl)silyl]benzaldehyde.

Molecular Properties

Compound Name4-[dimethyl(propan-2-yl)silyl]benzaldehyde
PubChem CID57438509
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name4-[dimethyl(propan-2-yl)silyl]benzaldehyde
SMILESCC(C)[Si](C)(C)c1ccc(C=O)cc1
InChIInChI=1S/C12H18OSi/c1-10(2)14(3,4)12-7-5-11(9-13)6-8-12/h5-10H,1-4H3
InChIKeyITFPDGXBMXCTPF-UHFFFAOYSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-[dimethyl(propan-2-yl)silyl]benzaldehyde?
The IUPAC name of 4-[dimethyl(propan-2-yl)silyl]benzaldehyde (CID 57438509) is 4-[dimethyl(propan-2-yl)silyl]benzaldehyde.
What is the SMILES notation for 4-[dimethyl(propan-2-yl)silyl]benzaldehyde?
The canonical SMILES for 4-[dimethyl(propan-2-yl)silyl]benzaldehyde is CC(C)[Si](C)(C)c1ccc(C=O)cc1.
What is the InChIKey of 4-[dimethyl(propan-2-yl)silyl]benzaldehyde?
The InChIKey is ITFPDGXBMXCTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-10(2)14(3,4)12-7-5-11(9-13)6-8-12/h5-10H,1-4H3.
What are the key properties of 4-[dimethyl(propan-2-yl)silyl]benzaldehyde?
4-[dimethyl(propan-2-yl)silyl]benzaldehyde has a molecular weight of 206.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(propan-2-yl)silyl]benzaldehyde is sourced from PubChem (CID 57438509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).