tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane

C16H32O3Si — CID 11130387

IUPACtert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
SMILESC=C[C@H]1COC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-13-12-17-16(5,6)19-14(13)10-11-18-20(7,8)15(2,3)4/h9,13-14H,1,10-12H2,2-8H3/t13-,14+/m0/s1
InChIKeyQBPNNWIUSRGCQE-UONOGXRCSA-N
MW300.51 g/mol
LogP4.35
Rot. Bonds5

About tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane (PubChem CID 11130387) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
PubChem CID11130387
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
SMILESC=C[C@H]1COC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-13-12-17-16(5,6)19-14(13)10-11-18-20(7,8)15(2,3)4/h9,13-14H,1,10-12H2,2-8H3/t13-,14+/m0/s1
InChIKeyQBPNNWIUSRGCQE-UONOGXRCSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane
CID 15981704
tert-butyl-dimethyl-[(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-yl]oxysilane
CID 44220841
Tert-butyl-(3-ethenyloxan-4-yl)oxy-dimethylsilane
CID 58654193
Tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane
CID 156679822
trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane
CID 10085412
tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 10404268
tri(propan-2-yl)-[(1R)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10498503
[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10500135
[(1S)-1-[(4R,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10619947
tri(propan-2-yl)-[(1R)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10642035
[(1R)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10643650
tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10689649

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane (CID 11130387) is tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane is C=C[C@H]1COC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane?
The InChIKey is QBPNNWIUSRGCQE-UONOGXRCSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-13-12-17-16(5,6)19-14(13)10-11-18-20(7,8)15(2,3)4/h9,13-14H,1,10-12H2,2-8H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane has a molecular weight of 300.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 11130387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).