tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane

C17H34O3Si — CID 11056140

IUPACtert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1O[C@H](OC)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C17H34O3Si/c1-10-11-14-12(2)15(13(3)16(18-7)19-14)20-21(8,9)17(4,5)6/h10,12-16H,1,11H2,2-9H3/t12-,13+,14-,15-,16-/m0/s1
InChIKeyIHOMTNZWOIZCED-QRJUGERDSA-N
MW314.54 g/mol
LogP4.60
Rot. Bonds5

About tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane (PubChem CID 11056140) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane
PubChem CID11056140
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nametert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1O[C@H](OC)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C17H34O3Si/c1-10-11-14-12(2)15(13(3)16(18-7)19-14)20-21(8,9)17(4,5)6/h10,12-16H,1,11H2,2-9H3/t12-,13+,14-,15-,16-/m0/s1
InChIKeyIHOMTNZWOIZCED-QRJUGERDSA-N
XLogP4.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.60
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,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane (CID 11056140) is tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane is C=CC[C@@H]1O[C@H](OC)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is IHOMTNZWOIZCED-QRJUGERDSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-10-11-14-12(2)15(13(3)16(18-7)19-14)20-21(8,9)17(4,5)6/h10,12-16H,1,11H2,2-9H3/t12-,13+,14-,15-,16-/m0/s1.
What are the key properties of tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 314.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 11056140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).