(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one

C14H26O3Si — CID 10445854

IUPAC(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one
SMILESC=C[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]1C
InChIInChI=1S/C14H26O3Si/c1-8-11-10(2)13(15)17-12(11)9-16-18(6,7)14(3,4)5/h8,10-12H,1,9H2,2-7H3/t10-,11+,12-/m1/s1
InChIKeyLFMSPQBOGBCYDJ-GRYCIOLGSA-N
MW270.44 g/mol
LogP3.37
Rot. Bonds4

About (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one

(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one (PubChem CID 10445854) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one
PubChem CID10445854
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one
SMILESC=C[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]1C
InChIInChI=1S/C14H26O3Si/c1-8-11-10(2)13(15)17-12(11)9-16-18(6,7)14(3,4)5/h8,10-12H,1,9H2,2-7H3/t10-,11+,12-/m1/s1
InChIKeyLFMSPQBOGBCYDJ-GRYCIOLGSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one
CID 146018116
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
CID 146018117
(3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one
CID 10685800
(3s,4r)-3-Allyl-4-(tert-butyldimethylsilyloxy) tetrahydrofuran-2-one
CID 11161185
(3S,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methyloxolan-2-one
CID 10107970
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyloxolan-2-one
CID 10332655
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyloxolan-2-one
CID 10422563
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one
CID 10423285
(3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one
CID 10519641
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-propan-2-yloxolan-2-one
CID 10542120
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one
CID 10543622
(5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
CID 10828947

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one?
The IUPAC name of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one (CID 10445854) is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one?
The canonical SMILES for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one is C=C[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]1C.
What is the InChIKey of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one?
The InChIKey is LFMSPQBOGBCYDJ-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-8-11-10(2)13(15)17-12(11)9-16-18(6,7)14(3,4)5/h8,10-12H,1,9H2,2-7H3/t10-,11+,12-/m1/s1.
What are the key properties of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one?
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one has a molecular weight of 270.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one is sourced from PubChem (CID 10445854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).