1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one

C15H26O3Si — CID 134879242

IUPAC1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one
SMILESCC(=O)CC1(O[Si](C)(C)C)[C@H](C)[C@@H]2C=C[C@@H](O2)[C@H]1C
InChIInChI=1S/C15H26O3Si/c1-10(16)9-15(18-19(4,5)6)11(2)13-7-8-14(17-13)12(15)3/h7-8,11-14H,9H2,1-6H3/t11-,12-,13-,14+,15?/m1/s1
InChIKeyIEDIDQYRQKYUPX-ARJVPZMDSA-N
MW282.46 g/mol
LogP3.17
Rot. Bonds4

About 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one

1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one (PubChem CID 134879242) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one
PubChem CID134879242
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one
SMILESCC(=O)CC1(O[Si](C)(C)C)[C@H](C)[C@@H]2C=C[C@@H](O2)[C@H]1C
InChIInChI=1S/C15H26O3Si/c1-10(16)9-15(18-19(4,5)6)11(2)13-7-8-14(17-13)12(15)3/h7-8,11-14H,9H2,1-6H3/t11-,12-,13-,14+,15?/m1/s1
InChIKeyIEDIDQYRQKYUPX-ARJVPZMDSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.17
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 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(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
1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one
CID 11243782
(1R,5S,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11630391
1-(3-Trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl)propan-2-one
CID 72766484
(1S,2S,4S,5R)-2,4-dimethyl-1-trimethylsilyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100975769
(1R,2R,4R,5S)-2,4-dimethyl-1-trimethylsilyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100975770
(1S,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100975771
(1R,2S,4S,5S)-2,4-dimethyl-1-trimethylsilyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100975772
1-(2,4-Dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl)propan-2-one
CID 177600366

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one?
The IUPAC name of 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) is 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one.
What is the SMILES notation for 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one?
The canonical SMILES for 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one is CC(=O)CC1(O[Si](C)(C)C)[C@H](C)[C@@H]2C=C[C@@H](O2)[C@H]1C.
What is the InChIKey of 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one?
The InChIKey is IEDIDQYRQKYUPX-ARJVPZMDSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-10(16)9-15(18-19(4,5)6)11(2)13-7-8-14(17-13)12(15)3/h7-8,11-14H,9H2,1-6H3/t11-,12-,13-,14+,15?/m1/s1.
What are the key properties of 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one?
1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one has a molecular weight of 282.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one is sourced from PubChem (CID 134879242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).