5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one

C14H28O5Si — CID 90953577

IUPAC5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one
SMILESCOC(OC)C(O[Si](C)(C)C(C)(C)C)C1CCC(=O)O1
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(6,7)19-12(13(16-4)17-5)10-8-9-11(15)18-10/h10,12-13H,8-9H2,1-7H3
InChIKeyPAYXAHFDBMHMIR-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.70
Rot. Bonds6

About 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one

5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one (PubChem CID 90953577) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one
PubChem CID90953577
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one
SMILESCOC(OC)C(O[Si](C)(C)C(C)(C)C)C1CCC(=O)O1
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(6,7)19-12(13(16-4)17-5)10-8-9-11(15)18-10/h10,12-13H,8-9H2,1-7H3
InChIKeyPAYXAHFDBMHMIR-UHFFFAOYSA-N
XLogP2.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one 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

(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 15271273
3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 102368860
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one
CID 134840108
ethyl 3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 135028246
2,6-Dideoxy-ribo-hexonic acid, 1,4-lactone, TMS
CID 6427151
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl]oxolan-2-one
CID 58570960
(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one
CID 90368979
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 90371671
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 90371732
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 176961730
methyl 2-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]acetate
CID 10360286

Frequently Asked Questions

What is the IUPAC name of 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one?
The IUPAC name of 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one (CID 90953577) is 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one.
What is the SMILES notation for 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one?
The canonical SMILES for 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one is COC(OC)C(O[Si](C)(C)C(C)(C)C)C1CCC(=O)O1.
What is the InChIKey of 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one?
The InChIKey is PAYXAHFDBMHMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-14(2,3)20(6,7)19-12(13(16-4)17-5)10-8-9-11(15)18-10/h10,12-13H,8-9H2,1-7H3.
What are the key properties of 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one?
5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one has a molecular weight of 304.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one is sourced from PubChem (CID 90953577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).