(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one

C12H24O4Si — CID 10706487

IUPAC(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one
SMILESCO[C@@H]1CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)15-8-10-9(13)7-11(14-4)16-10/h10-11H,7-8H2,1-6H3/t10-,11+/m1/s1
InChIKeySYMBHKSEDCOXIX-MNOVXSKESA-N
MW260.41 g/mol
LogP2.34
Rot. Bonds4

About (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one

(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one (PubChem CID 10706487) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one.

Molecular Properties

Compound Name(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one
PubChem CID10706487
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one
SMILESCO[C@@H]1CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)15-8-10-9(13)7-11(14-4)16-10/h10-11H,7-8H2,1-6H3/t10-,11+/m1/s1
InChIKeySYMBHKSEDCOXIX-MNOVXSKESA-N
XLogP2.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 10086294
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 13832446
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 46838235
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11033068
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
(6aR,8S,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
CID 15451469
(3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 57725074
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 68023596
(5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 69174610
(6aR,8R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
CID 141664513
(6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
CID 153493511
(2S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxy-dideuteriomethyl]-2-methoxy-4-methyloxolan-3-one
CID 159285766

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one?
The IUPAC name of (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one (CID 10706487) is (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one.
What is the SMILES notation for (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one?
The canonical SMILES for (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one is CO[C@@H]1CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one?
The InChIKey is SYMBHKSEDCOXIX-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)15-8-10-9(13)7-11(14-4)16-10/h10-11H,7-8H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one?
(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one has a molecular weight of 260.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one is sourced from PubChem (CID 10706487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).