3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal

C16H32O2Si — CID 14322950

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal
SMILESCC(C)=CCCC(C)(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-14(2)10-9-11-16(6,12-13-17)18-19(7,8)15(3,4)5/h10,13H,9,11-12H2,1-8H3
InChIKeyJRYXLMPHXVWVDH-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.10
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal

3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal (PubChem CID 14322950) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal
PubChem CID14322950
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal
SMILESCC(C)=CCCC(C)(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-14(2)10-9-11-16(6,12-13-17)18-19(7,8)15(3,4)5/h10,13H,9,11-12H2,1-8H3
InChIKeyJRYXLMPHXVWVDH-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal (CID 14322950) is 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal is CC(C)=CCCC(C)(CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal?
The InChIKey is JRYXLMPHXVWVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-14(2)10-9-11-16(6,12-13-17)18-19(7,8)15(3,4)5/h10,13H,9,11-12H2,1-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal?
3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal has a molecular weight of 284.52 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enal is sourced from PubChem (CID 14322950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).