3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine

C24H45NO3Si2 — CID 87197183

IUPAC3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine
SMILESC1CCNCC1.CC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si2.C5H11N/c1-18(2,3)23(7,8)21-16-12-11-15(14-20)13-17(16)22-24(9,10)19(4,5)6;1-2-4-6-5-3-1/h11-14H,1-10H3;6H,1-5H2
InChIKeyVOBWNXCBAWJGCD-UHFFFAOYSA-N
MW451.80 g/mol
LogP7.03
Rot. Bonds5

About 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine

3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine (PubChem CID 87197183) has the molecular formula C24H45NO3Si2 and a molecular weight of 451.80 g/mol. Its IUPAC name is 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine.

Molecular Properties

Compound Name3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine
PubChem CID87197183
Molecular FormulaC24H45NO3Si2
Molecular Weight451.80 g/mol
Exact Mass451.29
IUPAC Name3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine
SMILESC1CCNCC1.CC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si2.C5H11N/c1-18(2,3)23(7,8)21-16-12-11-15(14-20)13-17(16)22-24(9,10)19(4,5)6;1-2-4-6-5-3-1/h11-14H,1-10H3;6H,1-5H2
InChIKeyVOBWNXCBAWJGCD-UHFFFAOYSA-N
XLogP7.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.80
LogP ≤ 57.03
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'}

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Related Compounds

4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
CID 87059060
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde
CID 18352505
3,4-bis[[2,2-dimethylpropyl(dimethyl)silyl]oxy]benzaldehyde
CID 141349992
4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
CID 42643383
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504
5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde
CID 167725112
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine?
The IUPAC name of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine (CID 87197183) is 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine.
What is the SMILES notation for 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine?
The canonical SMILES for 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine is C1CCNCC1.CC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine?
The InChIKey is VOBWNXCBAWJGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3Si2.C5H11N/c1-18(2,3)23(7,8)21-16-12-11-15(14-20)13-17(16)22-24(9,10)19(4,5)6;1-2-4-6-5-3-1/h11-14H,1-10H3;6H,1-5H2.
What are the key properties of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine?
3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine has a molecular weight of 451.80 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine is sourced from PubChem (CID 87197183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).