(1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one

C16H26O3Si — CID 11392269

IUPAC(1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@]23CCC[C@@H]2C[C@H](O3)C1=O
InChIInChI=1S/C16H26O3Si/c1-15(2,3)20(4,5)19-13-10-16-8-6-7-11(16)9-12(18-16)14(13)17/h10-12H,6-9H2,1-5H3/t11-,12+,16+/m1/s1
InChIKeyNQIPSRNLHJZSBJ-WQGACYEGSA-N
MW294.47 g/mol
LogP3.80
Rot. Bonds2

About (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one

(1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one (PubChem CID 11392269) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one.

Molecular Properties

Compound Name(1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one
PubChem CID11392269
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@]23CCC[C@@H]2C[C@H](O3)C1=O
InChIInChI=1S/C16H26O3Si/c1-15(2,3)20(4,5)19-13-10-16-8-6-7-11(16)9-12(18-16)14(13)17/h10-12H,6-9H2,1-5H3/t11-,12+,16+/m1/s1
InChIKeyNQIPSRNLHJZSBJ-WQGACYEGSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one?
The IUPAC name of (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one (CID 11392269) is (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one.
What is the SMILES notation for (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one?
The canonical SMILES for (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one is CC(C)(C)[Si](C)(C)OC1=C[C@@]23CCC[C@@H]2C[C@H](O3)C1=O.
What is the InChIKey of (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one?
The InChIKey is NQIPSRNLHJZSBJ-WQGACYEGSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-15(2,3)20(4,5)19-13-10-16-8-6-7-11(16)9-12(18-16)14(13)17/h10-12H,6-9H2,1-5H3/t11-,12+,16+/m1/s1.
What are the key properties of (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one?
(1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one has a molecular weight of 294.47 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one is sourced from PubChem (CID 11392269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).