(3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one

C15H30O4Si — CID 102163304

IUPAC(3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one
SMILESCC[C@H]1COC(=O)[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C15H30O4Si/c1-8-11-9-18-13(17)15(5,12(11)16)10-19-20(6,7)14(2,3)4/h11-12,16H,8-10H2,1-7H3/t11-,12+,15+/m0/s1
InChIKeyBDCMCBGICYGBSF-YWPYICTPSA-N
MW302.49 g/mol
LogP2.96
Rot. Bonds4

About (3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one

(3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one (PubChem CID 102163304) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one
PubChem CID102163304
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one
SMILESCC[C@H]1COC(=O)[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C15H30O4Si/c1-8-11-9-18-13(17)15(5,12(11)16)10-19-20(6,7)14(2,3)4/h11-12,16H,8-10H2,1-7H3/t11-,12+,15+/m0/s1
InChIKeyBDCMCBGICYGBSF-YWPYICTPSA-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,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one?
The IUPAC name of (3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one (CID 102163304) is (3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one.
What is the SMILES notation for (3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one?
The canonical SMILES for (3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one is CC[C@H]1COC(=O)[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one?
The InChIKey is BDCMCBGICYGBSF-YWPYICTPSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-8-11-9-18-13(17)15(5,12(11)16)10-19-20(6,7)14(2,3)4/h11-12,16H,8-10H2,1-7H3/t11-,12+,15+/m0/s1.
What are the key properties of (3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one?
(3R,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-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,4R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-hydroxy-3-methyloxan-2-one is sourced from PubChem (CID 102163304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).