methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate

C15H26O5Si — CID 50993174

IUPACmethyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate
SMILESCOC(=O)C[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C15H26O5Si/c1-15(2,3)21(5,6)19-10-11-7-8-12(16)13(20-11)9-14(17)18-4/h7-8,11,13H,9-10H2,1-6H3/t11-,13-/m0/s1
InChIKeyYVYHMOMXHYGCPU-AAEUAGOBSA-N
MW314.45 g/mol
LogP2.46
Rot. Bonds5

About methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate

methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate (PubChem CID 50993174) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate
PubChem CID50993174
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Namemethyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate
SMILESCOC(=O)C[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C15H26O5Si/c1-15(2,3)21(5,6)19-10-11-7-8-12(16)13(20-11)9-14(17)18-4/h7-8,11,13H,9-10H2,1-6H3/t11-,13-/m0/s1
InChIKeyYVYHMOMXHYGCPU-AAEUAGOBSA-N
XLogP2.46
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10890036
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472099
(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-one
CID 101576209
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-oxocyclohex-2-en-1-yl] acetate
CID 102288158
[(2R,3S,6S)-3-acetyloxy-6-(3,6-dioxo-4-trimethylsilylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134923963
[(3S,4E,7S,8R,9E,12R)-12-[(Z)-but-2-en-2-yl]-8-[tert-butyl(dimethyl)silyl]oxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-4,9-dien-7-yl] 3-methylbutanoate
CID 138975804
(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione
CID 164667839
[(1S,5S,6S)-5,6-diacetyloxy-4-oxocyclohex-2-en-1-yl] acetate
CID 16107972
5-[Tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 85186403
(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one;tert-butyl 2-methoxyacetate
CID 91195546
(3E,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-propylideneoxolan-2-one
CID 174036209
methyl (3S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,4-diene-1-carboxylate
CID 10316965

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate?
The IUPAC name of methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate (CID 50993174) is methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate?
The canonical SMILES for methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate is COC(=O)C[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate?
The InChIKey is YVYHMOMXHYGCPU-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-15(2,3)21(5,6)19-10-11-7-8-12(16)13(20-11)9-14(17)18-4/h7-8,11,13H,9-10H2,1-6H3/t11-,13-/m0/s1.
What are the key properties of methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate?
methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate has a molecular weight of 314.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate is sourced from PubChem (CID 50993174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).