(1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol

C15H26O3Si — CID 11460246

IUPAC(1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol
SMILESC=CCCO[C@@H]1OCC[C@H]2C[C@@H](O)C([Si](C)(C)C)=C21
InChIInChI=1S/C15H26O3Si/c1-5-6-8-17-15-13-11(7-9-18-15)10-12(16)14(13)19(2,3)4/h5,11-12,15-16H,1,6-10H2,2-4H3/t11-,12+,15+/m0/s1
InChIKeyOUQNAFMUABYGLU-YWPYICTPSA-N
MW282.46 g/mol
LogP2.88
Rot. Bonds5

About (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol

(1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol (PubChem CID 11460246) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol.

Molecular Properties

Compound Name(1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol
PubChem CID11460246
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name(1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol
SMILESC=CCCO[C@@H]1OCC[C@H]2C[C@@H](O)C([Si](C)(C)C)=C21
InChIInChI=1S/C15H26O3Si/c1-5-6-8-17-15-13-11(7-9-18-15)10-12(16)14(13)19(2,3)4/h5,11-12,15-16H,1,6-10H2,2-4H3/t11-,12+,15+/m0/s1
InChIKeyOUQNAFMUABYGLU-YWPYICTPSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol?
The IUPAC name of (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol (CID 11460246) is (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol.
What is the SMILES notation for (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol?
The canonical SMILES for (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol is C=CCCO[C@@H]1OCC[C@H]2C[C@@H](O)C([Si](C)(C)C)=C21.
What is the InChIKey of (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol?
The InChIKey is OUQNAFMUABYGLU-YWPYICTPSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-5-6-8-17-15-13-11(7-9-18-15)10-12(16)14(13)19(2,3)4/h5,11-12,15-16H,1,6-10H2,2-4H3/t11-,12+,15+/m0/s1.
What are the key properties of (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol?
(1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol has a molecular weight of 282.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol is sourced from PubChem (CID 11460246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).