2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde

C17H28O3Si — CID 23079535

IUPAC2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde
SMILESCOc1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1C=O
InChIInChI=1S/C17H28O3Si/c1-12(2)21(13(3)4,14(5)6)20-16-9-8-15(11-18)17(10-16)19-7/h8-14H,1-7H3
InChIKeyXAWHYIBHZBOJIT-UHFFFAOYSA-N
MW308.49 g/mol
LogP5.06
Rot. Bonds7

About 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde

2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde (PubChem CID 23079535) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde.

Molecular Properties

Compound Name2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde
PubChem CID23079535
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde
SMILESCOc1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1C=O
InChIInChI=1S/C17H28O3Si/c1-12(2)21(13(3)4,14(5)6)20-16-9-8-15(11-18)17(10-16)19-7/h8-14H,1-7H3
InChIKeyXAWHYIBHZBOJIT-UHFFFAOYSA-N
XLogP5.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-formyl-3-methoxyphenyl) acetate
CID 22633336
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde
CID 12024000
(4-ethenyl-3-methylphenoxy)-tri(propan-2-yl)silane
CID 46783290
2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde
CID 59336031
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
4-fluoro-2-methoxybenzaldehyde
CID 2774537
7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde
CID 25156881
4-(1-azidopropoxy)-2-methoxybenzaldehyde
CID 118415192
4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
CID 139643232

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde?
The IUPAC name of 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde (CID 23079535) is 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde.
What is the SMILES notation for 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde?
The canonical SMILES for 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde is COc1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1C=O.
What is the InChIKey of 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde?
The InChIKey is XAWHYIBHZBOJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-12(2)21(13(3)4,14(5)6)20-16-9-8-15(11-18)17(10-16)19-7/h8-14H,1-7H3.
What are the key properties of 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde?
2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde has a molecular weight of 308.49 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde is sourced from PubChem (CID 23079535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).