tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde

C26H41ClO4Si2 — CID 160501049

IUPACtert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)Oc1cccc(C=O)c1.O=Cc1cccc(O)c1
InChIInChI=1S/C13H20O2Si.C7H6O2.C6H15ClSi/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14;8-5-6-2-1-3-7(9)4-6;1-6(2,3)8(4,5)7/h6-10H,1-5H3;1-5,9H;1-5H3
InChIKeyQRUAGXXXNOPAMY-UHFFFAOYSA-N
MW509.24 g/mol
LogP8.32
Rot. Bonds4

About tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde

tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde (PubChem CID 160501049) has the molecular formula C26H41ClO4Si2 and a molecular weight of 509.24 g/mol. Its IUPAC name is tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde.

Molecular Properties

Compound Nametert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde
PubChem CID160501049
Molecular FormulaC26H41ClO4Si2
Molecular Weight509.24 g/mol
Exact Mass508.22
IUPAC Nametert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)Oc1cccc(C=O)c1.O=Cc1cccc(O)c1
InChIInChI=1S/C13H20O2Si.C7H6O2.C6H15ClSi/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14;8-5-6-2-1-3-7(9)4-6;1-6(2,3)8(4,5)7/h6-10H,1-5H3;1-5,9H;1-5H3
InChIKeyQRUAGXXXNOPAMY-UHFFFAOYSA-N
XLogP8.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.24
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde
CID 139770376
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
CID 23439965
1-chloro-3,3-dimethylbutane;3-(3,3-dimethylbutoxy)benzaldehyde;3-hydroxybenzaldehyde
CID 158545964
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal
CID 102344497
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
bis(3-formylphenyl) oxalate
CID 10968521
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol;tert-butyl(trimethyl)silane;4-hydroxybenzaldehyde
CID 159275169
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533

Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde?
The IUPAC name of tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde (CID 160501049) is tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde.
What is the SMILES notation for tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde?
The canonical SMILES for tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde is CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)Oc1cccc(C=O)c1.O=Cc1cccc(O)c1.
What is the InChIKey of tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde?
The InChIKey is QRUAGXXXNOPAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si.C7H6O2.C6H15ClSi/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14;8-5-6-2-1-3-7(9)4-6;1-6(2,3)8(4,5)7/h6-10H,1-5H3;1-5,9H;1-5H3.
What are the key properties of tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde?
tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde has a molecular weight of 509.24 g/mol, XLogP of 8.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde is sourced from PubChem (CID 160501049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).