tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane

C24H42O3Si — CID 25215765

IUPACtert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)C=C=CCC1(CC#CCO[Si](C)(C)C(C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C24H42O3Si/c1-21(2,3)15-11-12-16-24(19-25-23(7,8)26-20-24)17-13-14-18-27-28(9,10)22(4,5)6/h12,15H,16-20H2,1-10H3
InChIKeySOJPVDKLVTVBAS-UHFFFAOYSA-N
MW406.68 g/mol
LogP6.32
Rot. Bonds5

About tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane

tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane (PubChem CID 25215765) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane
PubChem CID25215765
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Nametert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)C=C=CCC1(CC#CCO[Si](C)(C)C(C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C24H42O3Si/c1-21(2,3)15-11-12-16-24(19-25-23(7,8)26-20-24)17-13-14-18-27-28(9,10)22(4,5)6/h12,15H,16-20H2,1-10H3
InChIKeySOJPVDKLVTVBAS-UHFFFAOYSA-N
XLogP6.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-Tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane
CID 135047946
Lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane
CID 10635935
3-(2,2-Dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane
CID 10635936
8-[5-(2-Tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]octa-1,6-diynyl-trimethylsilane
CID 102000907
5-But-2-ynyl-5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxane
CID 102280110

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane (CID 25215765) is tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane is CC(C)(C)C=C=CCC1(CC#CCO[Si](C)(C)C(C)(C)C)COC(C)(C)OC1.
What is the InChIKey of tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane?
The InChIKey is SOJPVDKLVTVBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-21(2,3)15-11-12-16-24(19-25-23(7,8)26-20-24)17-13-14-18-27-28(9,10)22(4,5)6/h12,15H,16-20H2,1-10H3.
What are the key properties of tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane?
tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane has a molecular weight of 406.68 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 25215765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).