[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane

C17H34O2Si — CID 101396452

IUPAC[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane
SMILESCC(C)=CCC[C@@](C)(O[Si](C)(C)C)[C@@H]1CCC(C)(C)O1
InChIInChI=1S/C17H34O2Si/c1-14(2)10-9-12-17(5,19-20(6,7)8)15-11-13-16(3,4)18-15/h10,15H,9,11-13H2,1-8H3/t15-,17+/m0/s1
InChIKeyLFHKBRJIZFKDIO-DOTOQJQBSA-N
MW298.54 g/mol
LogP5.30
Rot. Bonds6

About [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane

[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane (PubChem CID 101396452) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane
PubChem CID101396452
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane
SMILESCC(C)=CCC[C@@](C)(O[Si](C)(C)C)[C@@H]1CCC(C)(C)O1
InChIInChI=1S/C17H34O2Si/c1-14(2)10-9-12-17(5,19-20(6,7)8)15-11-13-16(3,4)18-15/h10,15H,9,11-13H2,1-8H3/t15-,17+/m0/s1
InChIKeyLFHKBRJIZFKDIO-DOTOQJQBSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.30
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 [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane (CID 101396452) is [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane is CC(C)=CCC[C@@](C)(O[Si](C)(C)C)[C@@H]1CCC(C)(C)O1.
What is the InChIKey of [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane?
The InChIKey is LFHKBRJIZFKDIO-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-14(2)10-9-12-17(5,19-20(6,7)8)15-11-13-16(3,4)18-15/h10,15H,9,11-13H2,1-8H3/t15-,17+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane?
[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane has a molecular weight of 298.54 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 101396452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).