(7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one

C27H54O6Si3 — CID 102050768

IUPAC(7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one
SMILESCC[Si](CC)(CC)O[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C=C[C@H]1O[Si](C)(C)C(C)(C)C)OCCO2
InChIInChI=1S/C27H54O6Si3/c1-14-36(15-2,16-3)33-26(21-31-34(10,11)24(4,5)6)22(32-35(12,13)25(7,8)9)17-18-27(23(26)28)29-19-20-30-27/h17-18,22H,14-16,19-21H2,1-13H3/t22-,26-/m1/s1
InChIKeyIEZXQCHYTXPZNR-ATIYNZHBSA-N
MW558.98 g/mol
LogP7.04
Rot. Bonds10

About (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one

(7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one (PubChem CID 102050768) has the molecular formula C27H54O6Si3 and a molecular weight of 558.98 g/mol. Its IUPAC name is (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one.

Molecular Properties

Compound Name(7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one
PubChem CID102050768
Molecular FormulaC27H54O6Si3
Molecular Weight558.98 g/mol
Exact Mass558.32
IUPAC Name(7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one
SMILESCC[Si](CC)(CC)O[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C=C[C@H]1O[Si](C)(C)C(C)(C)C)OCCO2
InChIInChI=1S/C27H54O6Si3/c1-14-36(15-2,16-3)33-26(21-31-34(10,11)24(4,5)6)22(32-35(12,13)25(7,8)9)17-18-27(23(26)28)29-19-20-30-27/h17-18,22H,14-16,19-21H2,1-13H3/t22-,26-/m1/s1
InChIKeyIEZXQCHYTXPZNR-ATIYNZHBSA-N
XLogP7.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.98
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one?
The IUPAC name of (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one (CID 102050768) is (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one.
What is the SMILES notation for (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one?
The canonical SMILES for (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one is CC[Si](CC)(CC)O[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C=C[C@H]1O[Si](C)(C)C(C)(C)C)OCCO2.
What is the InChIKey of (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one?
The InChIKey is IEZXQCHYTXPZNR-ATIYNZHBSA-N. The full InChI is InChI=1S/C27H54O6Si3/c1-14-36(15-2,16-3)33-26(21-31-34(10,11)24(4,5)6)22(32-35(12,13)25(7,8)9)17-18-27(23(26)28)29-19-20-30-27/h17-18,22H,14-16,19-21H2,1-13H3/t22-,26-/m1/s1.
What are the key properties of (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one?
(7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one has a molecular weight of 558.98 g/mol, XLogP of 7.04, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-one is sourced from PubChem (CID 102050768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).