[(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane

C18H34OSi — CID 123559411

IUPAC[(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane
SMILESC=C[C@H](C[C@H](CC#CO[SiH](C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-10-15(17(2,3)4)14-16(18(5,6)7)12-11-13-19-20(8)9/h10,15-16,20H,1,12,14H2,2-9H3/t15-,16+/m1/s1
InChIKeyCZSBDLOAACUBTG-CVEARBPZSA-N
MW294.56 g/mol
LogP5.24
Rot. Bonds5

About [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane

[(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane (PubChem CID 123559411) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane.

Molecular Properties

Compound Name[(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane
PubChem CID123559411
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name[(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane
SMILESC=C[C@H](C[C@H](CC#CO[SiH](C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-10-15(17(2,3)4)14-16(18(5,6)7)12-11-13-19-20(8)9/h10,15-16,20H,1,12,14H2,2-9H3/t15-,16+/m1/s1
InChIKeyCZSBDLOAACUBTG-CVEARBPZSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.24
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 [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane?
The IUPAC name of [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane (CID 123559411) is [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane.
What is the SMILES notation for [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane?
The canonical SMILES for [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane is C=C[C@H](C[C@H](CC#CO[SiH](C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane?
The InChIKey is CZSBDLOAACUBTG-CVEARBPZSA-N. The full InChI is InChI=1S/C18H34OSi/c1-10-15(17(2,3)4)14-16(18(5,6)7)12-11-13-19-20(8)9/h10,15-16,20H,1,12,14H2,2-9H3/t15-,16+/m1/s1.
What are the key properties of [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane?
[(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane is sourced from PubChem (CID 123559411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).