(E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol

C20H36OSi2 — CID 155929750

IUPAC(E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol
SMILESCC[Si](C#CC(C)(C)/C=C/[C@H](O)CC#C[Si](C)(C)C)(CC)CC
InChIInChI=1S/C20H36OSi2/c1-9-23(10-2,11-3)18-16-20(4,5)15-14-19(21)13-12-17-22(6,7)8/h14-15,19,21H,9-11,13H2,1-8H3/b15-14+/t19-/m1/s1
InChIKeyHIHUDTFOGAXBFR-JUWJPQTCSA-N
MW348.68 g/mol
LogP5.25
Rot. Bonds6

About (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol

(E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol (PubChem CID 155929750) has the molecular formula C20H36OSi2 and a molecular weight of 348.68 g/mol. Its IUPAC name is (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol.

Molecular Properties

Compound Name(E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol
PubChem CID155929750
Molecular FormulaC20H36OSi2
Molecular Weight348.68 g/mol
Exact Mass348.23
IUPAC Name(E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol
SMILESCC[Si](C#CC(C)(C)/C=C/[C@H](O)CC#C[Si](C)(C)C)(CC)CC
InChIInChI=1S/C20H36OSi2/c1-9-23(10-2,11-3)18-16-20(4,5)15-14-19(21)13-12-17-22(6,7)8/h14-15,19,21H,9-11,13H2,1-8H3/b15-14+/t19-/m1/s1
InChIKeyHIHUDTFOGAXBFR-JUWJPQTCSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.68
LogP ≤ 55.25
H-Bond Donors ≤ 51
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 (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol?
The IUPAC name of (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol (CID 155929750) is (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol.
What is the SMILES notation for (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol?
The canonical SMILES for (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol is CC[Si](C#CC(C)(C)/C=C/[C@H](O)CC#C[Si](C)(C)C)(CC)CC.
What is the InChIKey of (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol?
The InChIKey is HIHUDTFOGAXBFR-JUWJPQTCSA-N. The full InChI is InChI=1S/C20H36OSi2/c1-9-23(10-2,11-3)18-16-20(4,5)15-14-19(21)13-12-17-22(6,7)8/h14-15,19,21H,9-11,13H2,1-8H3/b15-14+/t19-/m1/s1.
What are the key properties of (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol?
(E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol has a molecular weight of 348.68 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol is sourced from PubChem (CID 155929750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).