[(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate

C17H32O5Si — CID 70256490

IUPAC[(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)CCC12OCCO2
InChIInChI=1S/C17H32O5Si/c1-13(18)19-12-15-14(7-8-17(15)20-9-10-21-17)11-22-23(5,6)16(2,3)4/h14-15H,7-12H2,1-6H3/t14-,15-/m1/s1
InChIKeyWRMDUZFEWUQLBW-HUUCEWRRSA-N
MW344.52 g/mol
LogP3.34
Rot. Bonds5

About [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate

[(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate (PubChem CID 70256490) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate.

Molecular Properties

Compound Name[(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate
PubChem CID70256490
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name[(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)CCC12OCCO2
InChIInChI=1S/C17H32O5Si/c1-13(18)19-12-15-14(7-8-17(15)20-9-10-21-17)11-22-23(5,6)16(2,3)4/h14-15H,7-12H2,1-6H3/t14-,15-/m1/s1
InChIKeyWRMDUZFEWUQLBW-HUUCEWRRSA-N
XLogP3.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate?
The IUPAC name of [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate (CID 70256490) is [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate.
What is the SMILES notation for [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate?
The canonical SMILES for [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate is CC(=O)OC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)CCC12OCCO2.
What is the InChIKey of [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate?
The InChIKey is WRMDUZFEWUQLBW-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-13(18)19-12-15-14(7-8-17(15)20-9-10-21-17)11-22-23(5,6)16(2,3)4/h14-15H,7-12H2,1-6H3/t14-,15-/m1/s1.
What are the key properties of [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate?
[(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate has a molecular weight of 344.52 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate is sourced from PubChem (CID 70256490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).