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

C14H26O3Si — CID 11086842

IUPAC(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one
SMILESC=CC[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C14H26O3Si/c1-7-8-11-9-12(17-13(11)15)10-16-18(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyAPQARSCWNPVHQA-NEPJUHHUSA-N
MW270.44 g/mol
LogP3.52
Rot. Bonds5

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

(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one (PubChem CID 11086842) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one
PubChem CID11086842
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one
SMILESC=CC[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C14H26O3Si/c1-7-8-11-9-12(17-13(11)15)10-16-18(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyAPQARSCWNPVHQA-NEPJUHHUSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.52
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

2-Allyl-4-propoxymethylbutanolide
CID 129742031
2-Allyl-4-amyloxymethylbutanolide
CID 129742349
5-[(Propan-2-yloxy)methyl]-3-(prop-2-en-1-yl)-oxolan-2-one
CID 129759036
(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
(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
CID 154709334
(3s,4r)-3-Allyl-4-(tert-butyldimethylsilyloxy) tetrahydrofuran-2-one
CID 11161185
3-[3-[Ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one
CID 157360801
(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

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one?
The IUPAC name of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one (CID 11086842) is (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one?
The canonical SMILES for (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one is C=CC[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one?
The InChIKey is APQARSCWNPVHQA-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-7-8-11-9-12(17-13(11)15)10-16-18(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1.
What are the key properties of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one?
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one has a molecular weight of 270.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one is sourced from PubChem (CID 11086842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).