[(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate

C14H24O5Si — CID 11220330

IUPAC[(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2C=C[C@@H](OC=O)[C@H]1O2
InChIInChI=1S/C14H24O5Si/c1-14(2,3)20(4,5)17-8-11-13-10(16-9-15)6-7-12(18-11)19-13/h6-7,9-13H,8H2,1-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyHCRRAYLMKXYUFO-FVCCEPFGSA-N
MW300.43 g/mol
LogP2.23
Rot. Bonds5

About [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate

[(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate (PubChem CID 11220330) has the molecular formula C14H24O5Si and a molecular weight of 300.43 g/mol. Its IUPAC name is [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate.

Molecular Properties

Compound Name[(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate
PubChem CID11220330
Molecular FormulaC14H24O5Si
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name[(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2C=C[C@@H](OC=O)[C@H]1O2
InChIInChI=1S/C14H24O5Si/c1-14(2,3)20(4,5)17-8-11-13-10(16-9-15)6-7-12(18-11)19-13/h6-7,9-13H,8H2,1-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyHCRRAYLMKXYUFO-FVCCEPFGSA-N
XLogP2.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate?
The IUPAC name of [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate (CID 11220330) is [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate.
What is the SMILES notation for [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate?
The canonical SMILES for [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2C=C[C@@H](OC=O)[C@H]1O2.
What is the InChIKey of [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate?
The InChIKey is HCRRAYLMKXYUFO-FVCCEPFGSA-N. The full InChI is InChI=1S/C14H24O5Si/c1-14(2,3)20(4,5)17-8-11-13-10(16-9-15)6-7-12(18-11)19-13/h6-7,9-13H,8H2,1-5H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate?
[(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate has a molecular weight of 300.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate is sourced from PubChem (CID 11220330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).