tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane

C18H36O3Si — CID 42599911

IUPACtert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1C[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C18H36O3Si/c1-10-11-15-13-16(20-18(6,7)19-15)12-14(2)21-22(8,9)17(3,4)5/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16-/m0/s1
InChIKeyQAELNTOZFDACRZ-XHSDSOJGSA-N
MW328.57 g/mol
LogP5.27
Rot. Bonds6

About tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane (PubChem CID 42599911) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane
PubChem CID42599911
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Nametert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1C[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C18H36O3Si/c1-10-11-15-13-16(20-18(6,7)19-15)12-14(2)21-22(8,9)17(3,4)5/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16-/m0/s1
InChIKeyQAELNTOZFDACRZ-XHSDSOJGSA-N
XLogP5.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.27
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane (CID 42599911) is tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane is C=CC[C@@H]1C[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane?
The InChIKey is QAELNTOZFDACRZ-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-10-11-15-13-16(20-18(6,7)19-15)12-14(2)21-22(8,9)17(3,4)5/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16-/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane has a molecular weight of 328.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 42599911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).