4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal

C18H34O2Si — CID 134922778

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal
SMILESCCCCCCCC(C#CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-7-8-9-10-11-13-17(14-12-15-19)16-20-21(5,6)18(2,3)4/h15,17H,7-11,13,16H2,1-6H3
InChIKeyGMGUEIMHFYEWCC-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.19
Rot. Bonds9

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal

4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal (PubChem CID 134922778) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal
PubChem CID134922778
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal
SMILESCCCCCCCC(C#CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-7-8-9-10-11-13-17(14-12-15-19)16-20-21(5,6)18(2,3)4/h15,17H,7-11,13,16H2,1-6H3
InChIKeyGMGUEIMHFYEWCC-UHFFFAOYSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.19
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, diethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91737493
(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal
CID 134844755
Lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane
CID 134875537
(4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-ynal
CID 10598557
tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane
CID 11097563
Tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane
CID 11451025
10-Methyl-8-triethylsilyloxyundec-3-yn-2-one
CID 101742785
Tert-butyl-(2-ethynylnonoxy)-dimethylsilane
CID 134875538

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal (CID 134922778) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal is CCCCCCCC(C#CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal?
The InChIKey is GMGUEIMHFYEWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-7-8-9-10-11-13-17(14-12-15-19)16-20-21(5,6)18(2,3)4/h15,17H,7-11,13,16H2,1-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal has a molecular weight of 310.55 g/mol, XLogP of 5.19, 9 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]oxymethyl]undec-2-ynal is sourced from PubChem (CID 134922778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).