(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one

C15H30O4Si — CID 146018114

IUPAC(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one
SMILESC[C@H]1[C@H](C(C)(C)O)C(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-10-11(9-18-20(7,8)14(2,3)4)19-13(16)12(10)15(5,6)17/h10-12,17H,9H2,1-8H3/t10-,11-,12+/m1/s1
InChIKeyCWIHNPXPFLNOKG-UTUOFQBUSA-N
MW302.49 g/mol
LogP2.96
Rot. Bonds4

About (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one

(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one (PubChem CID 146018114) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one
PubChem CID146018114
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one
SMILESC[C@H]1[C@H](C(C)(C)O)C(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-10-11(9-18-20(7,8)14(2,3)4)19-13(16)12(10)15(5,6)17/h10-12,17H,9H2,1-8H3/t10-,11-,12+/m1/s1
InChIKeyCWIHNPXPFLNOKG-UTUOFQBUSA-N
XLogP2.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one?
The IUPAC name of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one (CID 146018114) is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one?
The canonical SMILES for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one is C[C@H]1[C@H](C(C)(C)O)C(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one?
The InChIKey is CWIHNPXPFLNOKG-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-10-11(9-18-20(7,8)14(2,3)4)19-13(16)12(10)15(5,6)17/h10-12,17H,9H2,1-8H3/t10-,11-,12+/m1/s1.
What are the key properties of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one?
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one has a molecular weight of 302.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one is sourced from PubChem (CID 146018114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).