(1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one

C14H24O3Si — CID 11630391

IUPAC(1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]2C=C[C@H]1OC(=O)C2
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)16-9-11-10-6-7-12(11)17-13(15)8-10/h6-7,10-12H,8-9H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyGZSRCHRVYFGZCR-GRYCIOLGSA-N
MW268.43 g/mol
LogP3.13
Rot. Bonds3

About (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one

(1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 11630391) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID11630391
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]2C=C[C@H]1OC(=O)C2
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)16-9-11-10-6-7-12(11)17-13(15)8-10/h6-7,10-12H,8-9H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyGZSRCHRVYFGZCR-GRYCIOLGSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.13
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 (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one with MolForge

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Launch Full Analysis

Related Compounds

8-(Methoxymethyl)-2-oxabicyclo[3.2.1]oct-6-en-3-one
CID 53819198
methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 11380222
1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one
CID 134879242
(1R,5S,8S)-8-(methoxymethyl)-2-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134892580
(3R,4S,5S,6S)-6-[(Z)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 59891837
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(Z)-prop-1-enyl]oxan-2-one
CID 59891839
(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]oxan-2-one
CID 59891943
(3R,4S,5S,6S)-6-but-1-enyl-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 91504344
(3aS,4S,5R,7aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 140680370
(3aR,4R,5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 140680373
(3aS,4S,5S,7aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 140680374
(3aR,4R,5R,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 140680375

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one (CID 11630391) is (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one is CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]2C=C[C@H]1OC(=O)C2.
What is the InChIKey of (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is GZSRCHRVYFGZCR-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)16-9-11-10-6-7-12(11)17-13(15)8-10/h6-7,10-12H,8-9H2,1-5H3/t10-,11+,12-/m1/s1.
What are the key properties of (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one?
(1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 268.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 11630391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).