5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol

C45H56O9Si2 — CID 90881949

IUPAC5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol
SMILESCOCOc1ccc([Si](C)(C)OCc2ccc(C)cc2)cc1C(O)c1ccc(OC)cc1.COCOc1ccc([Si](C)(C)OCc2ccc(C)cc2)cc1C=O
InChIInChI=1S/C26H32O5Si.C19H24O4Si/c1-19-6-8-20(9-7-19)17-31-32(4,5)23-14-15-25(30-18-28-2)24(16-23)26(27)21-10-12-22(29-3)13-11-21;1-15-5-7-16(8-6-15)13-23-24(3,4)18-9-10-19(22-14-21-2)17(11-18)12-20/h6-16,26-27H,17-18H2,1-5H3;5-12H,13-14H2,1-4H3
InChIKeyKZGGHRPFEFNVII-UHFFFAOYSA-N
MW797.11 g/mol
LogP8.12
Rot. Bonds18

About 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol

5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol (PubChem CID 90881949) has the molecular formula C45H56O9Si2 and a molecular weight of 797.11 g/mol. Its IUPAC name is 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol
PubChem CID90881949
Molecular FormulaC45H56O9Si2
Molecular Weight797.11 g/mol
Exact Mass796.35
IUPAC Name5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol
SMILESCOCOc1ccc([Si](C)(C)OCc2ccc(C)cc2)cc1C(O)c1ccc(OC)cc1.COCOc1ccc([Si](C)(C)OCc2ccc(C)cc2)cc1C=O
InChIInChI=1S/C26H32O5Si.C19H24O4Si/c1-19-6-8-20(9-7-19)17-31-32(4,5)23-14-15-25(30-18-28-2)24(16-23)26(27)21-10-12-22(29-3)13-11-21;1-15-5-7-16(8-6-15)13-23-24(3,4)18-9-10-19(22-14-21-2)17(11-18)12-20/h6-16,26-27H,17-18H2,1-5H3;5-12H,13-14H2,1-4H3
InChIKeyKZGGHRPFEFNVII-UHFFFAOYSA-N
XLogP8.12
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.11
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol
CID 54073732
2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde
CID 172541807
deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
CID 160741711
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
2-[(4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde
CID 82893166
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol
CID 159306157
2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
CID 161167132
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol
CID 65445812
4-[2-formyl-4-[(4-methylphenyl)methoxy]phenoxy]-4-oxobutanoic acid
CID 20599428

Frequently Asked Questions

What is the IUPAC name of 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol?
The IUPAC name of 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol (CID 90881949) is 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol?
The canonical SMILES for 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol is COCOc1ccc([Si](C)(C)OCc2ccc(C)cc2)cc1C(O)c1ccc(OC)cc1.COCOc1ccc([Si](C)(C)OCc2ccc(C)cc2)cc1C=O.
What is the InChIKey of 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol?
The InChIKey is KZGGHRPFEFNVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O5Si.C19H24O4Si/c1-19-6-8-20(9-7-19)17-31-32(4,5)23-14-15-25(30-18-28-2)24(16-23)26(27)21-10-12-22(29-3)13-11-21;1-15-5-7-16(8-6-15)13-23-24(3,4)18-9-10-19(22-14-21-2)17(11-18)12-20/h6-16,26-27H,17-18H2,1-5H3;5-12H,13-14H2,1-4H3.
What are the key properties of 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol?
5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol has a molecular weight of 797.11 g/mol, XLogP of 8.12, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 90881949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).