[1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane

C25H54O3Si2 — CID 91733513

IUPAC[1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane
SMILESCCCCCC/C=C/CCCCCCCCOCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H54O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-25(28-30(5,6)7)24-27-29(2,3)4/h13-14,25H,8-12,15-24H2,1-7H3/b14-13+
InChIKeyZRMXRCCFPQRTDO-BUHFOSPRSA-N
MW458.88 g/mol
LogP8.33
Rot. Bonds21

About [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane

[1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane (PubChem CID 91733513) has the molecular formula C25H54O3Si2 and a molecular weight of 458.88 g/mol. Its IUPAC name is [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane
PubChem CID91733513
Molecular FormulaC25H54O3Si2
Molecular Weight458.88 g/mol
Exact Mass458.36
IUPAC Name[1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane
SMILESCCCCCC/C=C/CCCCCCCCOCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H54O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-25(28-30(5,6)7)24-27-29(2,3)4/h13-14,25H,8-12,15-24H2,1-7H3/b14-13+
InChIKeyZRMXRCCFPQRTDO-BUHFOSPRSA-N
XLogP8.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.88
LogP ≤ 58.33
H-Bond Donors ≤ 50
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 [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane?
The IUPAC name of [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane (CID 91733513) is [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane is CCCCCC/C=C/CCCCCCCCOCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane?
The InChIKey is ZRMXRCCFPQRTDO-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H54O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-25(28-30(5,6)7)24-27-29(2,3)4/h13-14,25H,8-12,15-24H2,1-7H3/b14-13+.
What are the key properties of [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane?
[1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane has a molecular weight of 458.88 g/mol, XLogP of 8.33, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-hexadec-9-enoxy]-3-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 91733513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).