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

C15H30O3Si — CID 57385207

IUPAC(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol
SMILESC=CC[C@]1(C)C[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O3Si/c1-8-9-15(5)10-12(16)13(18-15)11-17-19(6,7)14(2,3)4/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+,15-/m1/s1
InChIKeyRGCIUBLADZVGKI-VNHYZAJKSA-N
MW286.49 g/mol
LogP3.49
Rot. Bonds5

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

(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol (PubChem CID 57385207) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol
PubChem CID57385207
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol
SMILESC=CC[C@]1(C)C[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O3Si/c1-8-9-15(5)10-12(16)13(18-15)11-17-19(6,7)14(2,3)4/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+,15-/m1/s1
InChIKeyRGCIUBLADZVGKI-VNHYZAJKSA-N
XLogP3.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
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-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
(4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol
CID 11793548
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138967635
tert-butyl-dimethyl-[[(2R,5R)-5-prop-2-enyloxolan-2-yl]methoxy]silane
CID 71665104
(3aR,5S,6R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-7a-methyl-4,5,6,7-tetrahydro-3H-inden-3a-ol
CID 102439939
methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate
CID 102142362
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
tert-butyl-[[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 10542271
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
(3aS,4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 71314364
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
(3aS,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 134922821

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol?
The IUPAC name of (2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol (CID 57385207) is (2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol.
What is the SMILES notation for (2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol?
The canonical SMILES for (2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol is C=CC[C@]1(C)C[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol?
The InChIKey is RGCIUBLADZVGKI-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-9-15(5)10-12(16)13(18-15)11-17-19(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 (2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol?
(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol has a molecular weight of 286.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 57385207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).