4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde

C18H26OSi — CID 10827100

IUPAC4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde
SMILESCC(C)[Si](C#Cc1ccc(C=O)cc1)(C(C)C)C(C)C
InChIInChI=1S/C18H26OSi/c1-14(2)20(15(3)4,16(5)6)12-11-17-7-9-18(13-19)10-8-17/h7-10,13-16H,1-6H3
InChIKeyRVBMUBZBPRCKHU-UHFFFAOYSA-N
MW286.49 g/mol
LogP5.07
Rot. Bonds4

About 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde

4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde (PubChem CID 10827100) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde
PubChem CID10827100
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Name4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde
SMILESCC(C)[Si](C#Cc1ccc(C=O)cc1)(C(C)C)C(C)C
InChIInChI=1S/C18H26OSi/c1-14(2)20(15(3)4,16(5)6)12-11-17-7-9-18(13-19)10-8-17/h7-10,13-16H,1-6H3
InChIKeyRVBMUBZBPRCKHU-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.49
LogP ≤ 55.07
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde?
The IUPAC name of 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde (CID 10827100) is 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde.
What is the SMILES notation for 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde?
The canonical SMILES for 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde is CC(C)[Si](C#Cc1ccc(C=O)cc1)(C(C)C)C(C)C.
What is the InChIKey of 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde?
The InChIKey is RVBMUBZBPRCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26OSi/c1-14(2)20(15(3)4,16(5)6)12-11-17-7-9-18(13-19)10-8-17/h7-10,13-16H,1-6H3.
What are the key properties of 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde?
4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde has a molecular weight of 286.49 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde is sourced from PubChem (CID 10827100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).