[(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane

C21H46O2Si2 — CID 163405091

IUPAC[(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane
SMILESC/C=C/C(C)(C)[C@H](CCO[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H46O2Si2/c1-10-18-21(8,9)20(23-25(14-5,15-6)16-7)17-19-22-24(11-2,12-3)13-4/h10,18,20H,11-17,19H2,1-9H3/b18-10+/t20-/m0/s1
InChIKeyUZBLXIHNQFACBA-CYEGBWLXSA-N
MW386.77 g/mol
LogP7.39
Rot. Bonds14

About [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane

[(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane (PubChem CID 163405091) has the molecular formula C21H46O2Si2 and a molecular weight of 386.77 g/mol. Its IUPAC name is [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane
PubChem CID163405091
Molecular FormulaC21H46O2Si2
Molecular Weight386.77 g/mol
Exact Mass386.30
IUPAC Name[(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane
SMILESC/C=C/C(C)(C)[C@H](CCO[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H46O2Si2/c1-10-18-21(8,9)20(23-25(14-5,15-6)16-7)17-19-22-24(11-2,12-3)13-4/h10,18,20H,11-17,19H2,1-9H3/b18-10+/t20-/m0/s1
InChIKeyUZBLXIHNQFACBA-CYEGBWLXSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.77
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane?
The IUPAC name of [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane (CID 163405091) is [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane.
What is the SMILES notation for [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane?
The canonical SMILES for [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane is C/C=C/C(C)(C)[C@H](CCO[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane?
The InChIKey is UZBLXIHNQFACBA-CYEGBWLXSA-N. The full InChI is InChI=1S/C21H46O2Si2/c1-10-18-21(8,9)20(23-25(14-5,15-6)16-7)17-19-22-24(11-2,12-3)13-4/h10,18,20H,11-17,19H2,1-9H3/b18-10+/t20-/m0/s1.
What are the key properties of [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane?
[(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane has a molecular weight of 386.77 g/mol, XLogP of 7.39, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane is sourced from PubChem (CID 163405091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).