5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal

C24H46O3Si2 — CID 24970667

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal
SMILESCC(C)(C)[Si](C)(C)OCC1(C(CCCC=O)O[Si](C)(C)C(C)(C)C)C=CCC=C1
InChIInChI=1S/C24H46O3Si2/c1-22(2,3)28(7,8)26-20-24(17-13-11-14-18-24)21(16-12-15-19-25)27-29(9,10)23(4,5)6/h13-14,17-19,21H,11-12,15-16,20H2,1-10H3
InChIKeyWWMYFWOYZZBRTR-UHFFFAOYSA-N
MW438.80 g/mol
LogP7.27
Rot. Bonds10

About 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal

5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal (PubChem CID 24970667) has the molecular formula C24H46O3Si2 and a molecular weight of 438.80 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal
PubChem CID24970667
Molecular FormulaC24H46O3Si2
Molecular Weight438.80 g/mol
Exact Mass438.30
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal
SMILESCC(C)(C)[Si](C)(C)OCC1(C(CCCC=O)O[Si](C)(C)C(C)(C)C)C=CCC=C1
InChIInChI=1S/C24H46O3Si2/c1-22(2,3)28(7,8)26-20-24(17-13-11-14-18-24)21(16-12-15-19-25)27-29(9,10)23(4,5)6/h13-14,17-19,21H,11-12,15-16,20H2,1-10H3
InChIKeyWWMYFWOYZZBRTR-UHFFFAOYSA-N
XLogP7.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.80
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal (CID 24970667) is 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal is CC(C)(C)[Si](C)(C)OCC1(C(CCCC=O)O[Si](C)(C)C(C)(C)C)C=CCC=C1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal?
The InChIKey is WWMYFWOYZZBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3Si2/c1-22(2,3)28(7,8)26-20-24(17-13-11-14-18-24)21(16-12-15-19-25)27-29(9,10)23(4,5)6/h13-14,17-19,21H,11-12,15-16,20H2,1-10H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal?
5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal has a molecular weight of 438.80 g/mol, XLogP of 7.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-5-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexa-2,5-dien-1-yl]pentanal is sourced from PubChem (CID 24970667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).