[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane

C16H30OSi — CID 87404967

IUPAC[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane
SMILESC#C[C@](C)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30OSi/c1-8-16(7,14-12-13-15(5)6)17-18(9-2,10-3)11-4/h1,13H,9-12,14H2,2-7H3/t16-/m1/s1
InChIKeySJEYLSUPWPCBID-MRXNPFEDSA-N
MW266.50 g/mol
LogP5.15
Rot. Bonds8

About [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane

[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane (PubChem CID 87404967) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane
PubChem CID87404967
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane
SMILESC#C[C@](C)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30OSi/c1-8-16(7,14-12-13-15(5)6)17-18(9-2,10-3)11-4/h1,13H,9-12,14H2,2-7H3/t16-/m1/s1
InChIKeySJEYLSUPWPCBID-MRXNPFEDSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane?
The IUPAC name of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane (CID 87404967) is [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane.
What is the SMILES notation for [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane?
The canonical SMILES for [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane is C#C[C@](C)(CCC=C(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane?
The InChIKey is SJEYLSUPWPCBID-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H30OSi/c1-8-16(7,14-12-13-15(5)6)17-18(9-2,10-3)11-4/h1,13H,9-12,14H2,2-7H3/t16-/m1/s1.
What are the key properties of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane?
[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane is sourced from PubChem (CID 87404967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).