(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol

C15H30O4Si — CID 10566310

IUPAC(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol
SMILESC=CC[C@@]1(O)C[C@@H](OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-8-9-15(16)10-13(17-5)19-12(15)11-18-20(6,7)14(2,3)4/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+,15-/m1/s1
InChIKeyZUAFIZFRWVIWIR-VNHYZAJKSA-N
MW302.49 g/mol
LogP3.08
Rot. Bonds6

About (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol

(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol (PubChem CID 10566310) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol
PubChem CID10566310
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol
SMILESC=CC[C@@]1(O)C[C@@H](OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-8-9-15(16)10-13(17-5)19-12(15)11-18-20(6,7)14(2,3)4/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+,15-/m1/s1
InChIKeyZUAFIZFRWVIWIR-VNHYZAJKSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol (CID 10566310) is (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol is C=CC[C@@]1(O)C[C@@H](OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol?
The InChIKey is ZUAFIZFRWVIWIR-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-8-9-15(16)10-13(17-5)19-12(15)11-18-20(6,7)14(2,3)4/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+,15-/m1/s1.
What are the key properties of (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol?
(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol has a molecular weight of 302.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 10566310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).