(1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

C16H28O3Si — CID 135068295

IUPAC(1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC(C)[Si](OC1C(=O)C[C@H]2C=C[C@@H]1O2)(C(C)C)C(C)C
InChIInChI=1S/C16H28O3Si/c1-10(2)20(11(3)4,12(5)6)19-16-14(17)9-13-7-8-15(16)18-13/h7-8,10-13,15-16H,9H2,1-6H3/t13-,15+,16?/m1/s1
InChIKeySLTNRRSACCRYKI-YISXUXMPSA-N
MW296.48 g/mol
LogP3.84
Rot. Bonds5

About (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

(1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 135068295) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID135068295
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name(1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC(C)[Si](OC1C(=O)C[C@H]2C=C[C@@H]1O2)(C(C)C)C(C)C
InChIInChI=1S/C16H28O3Si/c1-10(2)20(11(3)4,12(5)6)19-16-14(17)9-13-7-8-15(16)18-13/h7-8,10-13,15-16H,9H2,1-6H3/t13-,15+,16?/m1/s1
InChIKeySLTNRRSACCRYKI-YISXUXMPSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.84
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'}

Analyze (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one with MolForge

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Related Compounds

(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11242695
(1S,2R,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 101073662
(1R,2S,4R,5S)-2-butyl-4-triethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 101267984
(1R,2R,4S,5S)-2-butyl-4-triethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068049
(1S,2R,5S)-1,5-dimethyl-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068294
(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10729651
(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11269139
Fghfqaionfdxij-dtlfhodzsa-
CID 21575728
Fghfqaionfdxij-mhsyxaovsa-
CID 21575729
2-Methoxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 14169621
(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10659560
(1R,2S,5R)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11403727

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 135068295) is (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is CC(C)[Si](OC1C(=O)C[C@H]2C=C[C@@H]1O2)(C(C)C)C(C)C.
What is the InChIKey of (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is SLTNRRSACCRYKI-YISXUXMPSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-10(2)20(11(3)4,12(5)6)19-16-14(17)9-13-7-8-15(16)18-13/h7-8,10-13,15-16H,9H2,1-6H3/t13-,15+,16?/m1/s1.
What are the key properties of (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
(1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 296.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 135068295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).