[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde

C27H46O4Si2 — CID 159275169

IUPAC[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde
SMILESCC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)Oc1ccc(CO)cc1.O=Cc1ccc(O)cc1
InChIInChI=1S/C13H22O2Si.C7H6O2.C7H18Si/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12;8-5-6-1-3-7(9)4-2-6;1-7(2,3)8(4,5)6/h6-9,14H,10H2,1-5H3;1-5,9H;1-6H3
InChIKeyKYFGWCTZOUHIBV-UHFFFAOYSA-N
MW490.83 g/mol
LogP7.89
Rot. Bonds4

About [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde

[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde (PubChem CID 159275169) has the molecular formula C27H46O4Si2 and a molecular weight of 490.83 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde
PubChem CID159275169
Molecular FormulaC27H46O4Si2
Molecular Weight490.83 g/mol
Exact Mass490.29
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde
SMILESCC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)Oc1ccc(CO)cc1.O=Cc1ccc(O)cc1
InChIInChI=1S/C13H22O2Si.C7H6O2.C7H18Si/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12;8-5-6-1-3-7(9)4-2-6;1-7(2,3)8(4,5)6/h6-9,14H,10H2,1-5H3;1-5,9H;1-6H3
InChIKeyKYFGWCTZOUHIBV-UHFFFAOYSA-N
XLogP7.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.83
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]butanal
CID 155935075
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
ethanol;4-hydroxybenzaldehyde
CID 172788634
tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde
CID 160501049
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
CID 173072447
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
tert-butyl-dimethyl-[4-(2-methylprop-2-enoxymethyl)phenoxy]silane
CID 10517786
4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol
CID 46205799
dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
CID 160602999
chloroethane;4-hydroxybenzaldehyde
CID 174574301
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde (CID 159275169) is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde is CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)Oc1ccc(CO)cc1.O=Cc1ccc(O)cc1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde?
The InChIKey is KYFGWCTZOUHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si.C7H6O2.C7H18Si/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12;8-5-6-1-3-7(9)4-2-6;1-7(2,3)8(4,5)6/h6-9,14H,10H2,1-5H3;1-5,9H;1-6H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde?
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde has a molecular weight of 490.83 g/mol, XLogP of 7.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde is sourced from PubChem (CID 159275169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).