4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde

C27H42O4Si2 — CID 159703076

IUPAC4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde
SMILESCCCC[Si](C)(C)COc1ccc(C=O)cc1.C[Si](C)(C)CCCOc1ccc(C=O)cc1
InChIInChI=1S/C14H22O2Si.C13H20O2Si/c1-4-5-10-17(2,3)12-16-14-8-6-13(11-15)7-9-14;1-16(2,3)10-4-9-15-13-7-5-12(11-14)6-8-13/h6-9,11H,4-5,10,12H2,1-3H3;5-8,11H,4,9-10H2,1-3H3
InChIKeyMXWIHLVZKUGUES-UHFFFAOYSA-N
MW486.80 g/mol
LogP7.53
Rot. Bonds13

About 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde

4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde (PubChem CID 159703076) has the molecular formula C27H42O4Si2 and a molecular weight of 486.80 g/mol. Its IUPAC name is 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde.

Molecular Properties

Compound Name4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde
PubChem CID159703076
Molecular FormulaC27H42O4Si2
Molecular Weight486.80 g/mol
Exact Mass486.26
IUPAC Name4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde
SMILESCCCC[Si](C)(C)COc1ccc(C=O)cc1.C[Si](C)(C)CCCOc1ccc(C=O)cc1
InChIInChI=1S/C14H22O2Si.C13H20O2Si/c1-4-5-10-17(2,3)12-16-14-8-6-13(11-15)7-9-14;1-16(2,3)10-4-9-15-13-7-5-12(11-14)6-8-13/h6-9,11H,4-5,10,12H2,1-3H3;5-8,11H,4,9-10H2,1-3H3
InChIKeyMXWIHLVZKUGUES-UHFFFAOYSA-N
XLogP7.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.80
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-icosoxybenzaldehyde
CID 23127488
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
ethanol;4-octadecoxybenzaldehyde
CID 158692714
4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde
CID 140721041
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]benzaldehyde
CID 102190987
dodecyl-[2-(4-formylphenoxy)ethyl]-dimethylazanium
CID 101471102
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483
dodecyl 10-(4-formylphenoxy)decyl phosphate
CID 101477710
chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
CID 123328360
(4-formylphenyl) 4-octoxybenzoate
CID 4089388

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde?
The IUPAC name of 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde (CID 159703076) is 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde.
What is the SMILES notation for 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde?
The canonical SMILES for 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde is CCCC[Si](C)(C)COc1ccc(C=O)cc1.C[Si](C)(C)CCCOc1ccc(C=O)cc1.
What is the InChIKey of 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde?
The InChIKey is MXWIHLVZKUGUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si.C13H20O2Si/c1-4-5-10-17(2,3)12-16-14-8-6-13(11-15)7-9-14;1-16(2,3)10-4-9-15-13-7-5-12(11-14)6-8-13/h6-9,11H,4-5,10,12H2,1-3H3;5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde?
4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde has a molecular weight of 486.80 g/mol, XLogP of 7.53, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde is sourced from PubChem (CID 159703076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).