[9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate

C18H34O4Si — CID 100970635

IUPAC[9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate
SMILESC=CC(=C)C(CCCCCO[Si](C)(C)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C18H34O4Si/c1-9-15(2)16(22-17(19)20-6)13-11-10-12-14-21-23(7,8)18(3,4)5/h9,16H,1-2,10-14H2,3-8H3
InChIKeyARIBSFKMMUAFCR-UHFFFAOYSA-N
MW342.55 g/mol
LogP5.46
Rot. Bonds10

About [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate

[9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate (PubChem CID 100970635) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate.

Molecular Properties

Compound Name[9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate
PubChem CID100970635
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name[9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate
SMILESC=CC(=C)C(CCCCCO[Si](C)(C)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C18H34O4Si/c1-9-15(2)16(22-17(19)20-6)13-11-10-12-14-21-23(7,8)18(3,4)5/h9,16H,1-2,10-14H2,3-8H3
InChIKeyARIBSFKMMUAFCR-UHFFFAOYSA-N
XLogP5.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508
tert-butyl-(6-ethenoxyhexoxy)-dimethylsilane
CID 71372427
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate
CID 10831056

Frequently Asked Questions

What is the IUPAC name of [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate?
The IUPAC name of [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate (CID 100970635) is [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate.
What is the SMILES notation for [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate?
The canonical SMILES for [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate is C=CC(=C)C(CCCCCO[Si](C)(C)C(C)(C)C)OC(=O)OC.
What is the InChIKey of [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate?
The InChIKey is ARIBSFKMMUAFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-9-15(2)16(22-17(19)20-6)13-11-10-12-14-21-23(7,8)18(3,4)5/h9,16H,1-2,10-14H2,3-8H3.
What are the key properties of [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate?
[9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate has a molecular weight of 342.55 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate is sourced from PubChem (CID 100970635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).