4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal

C17H34O2Si — CID 177405710

IUPAC4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal
SMILESC=CCCCCCC(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-9-10-11-13-16(14-12-15-18)19-20(5,6)17(2,3)4/h7,15-16H,1,8-14H2,2-6H3
InChIKeyLSQPDRRLBSENHE-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds11

About 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal

4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal (PubChem CID 177405710) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal
PubChem CID177405710
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal
SMILESC=CCCCCCC(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-9-10-11-13-16(14-12-15-18)19-20(5,6)17(2,3)4/h7,15-16H,1,8-14H2,2-6H3
InChIKeyLSQPDRRLBSENHE-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

(4R,7S)-7-(Triisopropylsiloxy)-4,5-tetradecadien-1-al
CID 11068952
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
(E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enal
CID 10453377
2-Butyl-4-trimethylsilyloxyhept-6-enal
CID 57299910
(11Z,14Z)-3-((tert-butyldimethylsilyl)oxy)icosa-11,14-dienal
CID 86678085
(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one
CID 89431987
3-[Tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienal
CID 123840886
(19Z,22R)-22-{[tert-butyl(dimethyl)silyl]oxy}octacos-19-en-11-one
CID 131749544
(E)-6-[diethyl(prop-2-enyl)silyl]oxy-9-hydroxynon-8-enal
CID 140328615
9-Oxo-7-trimethylsilyloxynon-8-enal
CID 140333761
8-(Oxomethylidene)-6-triethylsilyloxydecanal
CID 140333784

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal (CID 177405710) is 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal is C=CCCCCCC(CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal?
The InChIKey is LSQPDRRLBSENHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-8-9-10-11-13-16(14-12-15-18)19-20(5,6)17(2,3)4/h7,15-16H,1,8-14H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal?
4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal has a molecular weight of 298.54 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxyundec-10-enal is sourced from PubChem (CID 177405710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).