ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate

C14H28O4Si — CID 101135037

IUPACethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate
SMILESCCOC(=O)CC1C[C@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C14H28O4Si/c1-7-16-13(15)9-11-8-12(10-17-11)18-19(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3/t11?,12-/m0/s1
InChIKeyDFRPEYAJDTWQOH-KIYNQFGBSA-N
MW288.46 g/mol
LogP3.12
Rot. Bonds5

About ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate

ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate (PubChem CID 101135037) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate
PubChem CID101135037
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate
SMILESCCOC(=O)CC1C[C@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C14H28O4Si/c1-7-16-13(15)9-11-8-12(10-17-11)18-19(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3/t11?,12-/m0/s1
InChIKeyDFRPEYAJDTWQOH-KIYNQFGBSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.12
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

methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
(2R,3S,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71733140
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
CID 72945079
(2R,3S,3aR,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 102341292
methyl (3S,5R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyhexanoate
CID 102361535
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one
CID 134840108
(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 134849405

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate?
The IUPAC name of ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate (CID 101135037) is ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate is CCOC(=O)CC1C[C@H](O[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate?
The InChIKey is DFRPEYAJDTWQOH-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-7-16-13(15)9-11-8-12(10-17-11)18-19(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3/t11?,12-/m0/s1.
What are the key properties of ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate?
ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate has a molecular weight of 288.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate is sourced from PubChem (CID 101135037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).