[(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate

C18H34O5Si — CID 10970395

IUPAC[(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate
SMILESC=C[C@@]1(C)[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1OC(C)=O
InChIInChI=1S/C18H34O5Si/c1-10-18(6)15(22-13(2)19)11-14(23-16(18)20-7)12-21-24(8,9)17(3,4)5/h10,14-16H,1,11-12H2,2-9H3/t14-,15+,16-,18+/m0/s1
InChIKeyPTEDDWUVNCMHDK-UIBIWLFHSA-N
MW358.55 g/mol
LogP3.89
Rot. Bonds6

About [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate

[(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate (PubChem CID 10970395) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate
PubChem CID10970395
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name[(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate
SMILESC=C[C@@]1(C)[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1OC(C)=O
InChIInChI=1S/C18H34O5Si/c1-10-18(6)15(22-13(2)19)11-14(23-16(18)20-7)12-21-24(8,9)17(3,4)5/h10,14-16H,1,11-12H2,2-9H3/t14-,15+,16-,18+/m0/s1
InChIKeyPTEDDWUVNCMHDK-UIBIWLFHSA-N
XLogP3.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate?
The IUPAC name of [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate (CID 10970395) is [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate.
What is the SMILES notation for [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate?
The canonical SMILES for [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate is C=C[C@@]1(C)[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1OC(C)=O.
What is the InChIKey of [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate?
The InChIKey is PTEDDWUVNCMHDK-UIBIWLFHSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-10-18(6)15(22-13(2)19)11-14(23-16(18)20-7)12-21-24(8,9)17(3,4)5/h10,14-16H,1,11-12H2,2-9H3/t14-,15+,16-,18+/m0/s1.
What are the key properties of [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate?
[(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate has a molecular weight of 358.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate is sourced from PubChem (CID 10970395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).