2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde

C18H30O3Si — CID 12024000

IUPAC2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde
SMILESCOc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)cc1C=O
InChIInChI=1S/C18H30O3Si/c1-13(2)22(14(3)4,15(5)6)21-12-16-8-9-18(20-7)17(10-16)11-19/h8-11,13-15H,12H2,1-7H3
InChIKeyKKGHUAXLGSQVMN-UHFFFAOYSA-N
MW322.52 g/mol
LogP5.20
Rot. Bonds8

About 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde

2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde (PubChem CID 12024000) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde
PubChem CID12024000
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde
SMILESCOc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)cc1C=O
InChIInChI=1S/C18H30O3Si/c1-13(2)22(14(3)4,15(5)6)21-12-16-8-9-18(20-7)17(10-16)11-19/h8-11,13-15H,12H2,1-7H3
InChIKeyKKGHUAXLGSQVMN-UHFFFAOYSA-N
XLogP5.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 55.20
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

2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde
CID 23079535
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxybenzaldehyde
CID 19348493
methyl 2-acetamido-3-(3-formyl-4-methoxyphenyl)propanoate
CID 591170
2-methoxy-5-(1,3-thiazol-2-ylmethyl)benzaldehyde
CID 79823849
5-(azetidin-1-ylmethyl)-2-methoxybenzaldehyde
CID 153327457
5-(1-aminoethyl)-2-methoxybenzaldehyde
CID 105438045
1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
CID 67253770
[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanol
CID 10732586
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde
CID 105496652
[3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane
CID 22598016
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde?
The IUPAC name of 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde (CID 12024000) is 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde.
What is the SMILES notation for 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde?
The canonical SMILES for 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde is COc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)cc1C=O.
What is the InChIKey of 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde?
The InChIKey is KKGHUAXLGSQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-13(2)22(14(3)4,15(5)6)21-12-16-8-9-18(20-7)17(10-16)11-19/h8-11,13-15H,12H2,1-7H3.
What are the key properties of 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde?
2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde has a molecular weight of 322.52 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde is sourced from PubChem (CID 12024000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).