5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol

C21H42O3Si — CID 22902785

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol
SMILESCC(C)=CCC/C(C)=C/COCC(O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-18(2)11-9-12-19(3)14-16-23-17-20(22)13-10-15-24-25(7,8)21(4,5)6/h11,14,20,22H,9-10,12-13,15-17H2,1-8H3/b19-14+
InChIKeyALBGIIDOFKMAGT-XMHGGMMESA-N
MW370.65 g/mol
LogP5.86
Rot. Bonds12

About 5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol

5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol (PubChem CID 22902785) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol
PubChem CID22902785
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol
SMILESCC(C)=CCC/C(C)=C/COCC(O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-18(2)11-9-12-19(3)14-16-23-17-20(22)13-10-15-24-25(7,8)21(4,5)6/h11,14,20,22H,9-10,12-13,15-17H2,1-8H3/b19-14+
InChIKeyALBGIIDOFKMAGT-XMHGGMMESA-N
XLogP5.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol (CID 22902785) is 5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol is CC(C)=CCC/C(C)=C/COCC(O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol?
The InChIKey is ALBGIIDOFKMAGT-XMHGGMMESA-N. The full InChI is InChI=1S/C21H42O3Si/c1-18(2)11-9-12-19(3)14-16-23-17-20(22)13-10-15-24-25(7,8)21(4,5)6/h11,14,20,22H,9-10,12-13,15-17H2,1-8H3/b19-14+.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol?
5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol has a molecular weight of 370.65 g/mol, XLogP of 5.86, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]pentan-2-ol is sourced from PubChem (CID 22902785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).