(2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one

C18H32O3Si — CID 11954682

IUPAC(2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one
SMILESC/C=C(\C)C[C@H](C)C[C@H](C)[C@@H](O[Si](C)(C)C)[C@H]1C=CC(=O)O1
InChIInChI=1S/C18H32O3Si/c1-8-13(2)11-14(3)12-15(4)18(21-22(5,6)7)16-9-10-17(19)20-16/h8-10,14-16,18H,11-12H2,1-7H3/b13-8+/t14-,15-,16+,18+/m0/s1
InChIKeySVKRDBDEXLFOGH-XFEABQMGSA-N
MW324.54 g/mol
LogP4.71
Rot. Bonds8

About (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one

(2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one (PubChem CID 11954682) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one
PubChem CID11954682
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name(2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one
SMILESC/C=C(\C)C[C@H](C)C[C@H](C)[C@@H](O[Si](C)(C)C)[C@H]1C=CC(=O)O1
InChIInChI=1S/C18H32O3Si/c1-8-13(2)11-14(3)12-15(4)18(21-22(5,6)7)16-9-10-17(19)20-16/h8-10,14-16,18H,11-12H2,1-7H3/b13-8+/t14-,15-,16+,18+/m0/s1
InChIKeySVKRDBDEXLFOGH-XFEABQMGSA-N
XLogP4.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.71
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one (CID 11954682) is (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one is C/C=C(\C)C[C@H](C)C[C@H](C)[C@@H](O[Si](C)(C)C)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one?
The InChIKey is SVKRDBDEXLFOGH-XFEABQMGSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-8-13(2)11-14(3)12-15(4)18(21-22(5,6)7)16-9-10-17(19)20-16/h8-10,14-16,18H,11-12H2,1-7H3/b13-8+/t14-,15-,16+,18+/m0/s1.
What are the key properties of (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one?
(2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one has a molecular weight of 324.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one is sourced from PubChem (CID 11954682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).