(3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one

C18H32F2O3Si — CID 70435644

IUPAC(3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one
SMILESCCCCC(F)C(/C=C/[C@@H]1COC(=O)[C@@H]1F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32F2O3Si/c1-7-8-9-14(19)15(23-24(5,6)18(2,3)4)11-10-13-12-22-17(21)16(13)20/h10-11,13-16H,7-9,12H2,1-6H3/b11-10+/t13-,14?,15?,16-/m1/s1
InChIKeyQFPVUXUVSWQJQT-WOYWJMKDSA-N
MW362.53 g/mol
LogP4.97
Rot. Bonds8

About (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one

(3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one (PubChem CID 70435644) has the molecular formula C18H32F2O3Si and a molecular weight of 362.53 g/mol. Its IUPAC name is (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one
PubChem CID70435644
Molecular FormulaC18H32F2O3Si
Molecular Weight362.53 g/mol
Exact Mass362.21
IUPAC Name(3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one
SMILESCCCCC(F)C(/C=C/[C@@H]1COC(=O)[C@@H]1F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32F2O3Si/c1-7-8-9-14(19)15(23-24(5,6)18(2,3)4)11-10-13-12-22-17(21)16(13)20/h10-11,13-16H,7-9,12H2,1-6H3/b11-10+/t13-,14?,15?,16-/m1/s1
InChIKeyQFPVUXUVSWQJQT-WOYWJMKDSA-N
XLogP4.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.53
LogP ≤ 54.97
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 (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one?
The IUPAC name of (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one (CID 70435644) is (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one.
What is the SMILES notation for (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one?
The canonical SMILES for (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one is CCCCC(F)C(/C=C/[C@@H]1COC(=O)[C@@H]1F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one?
The InChIKey is QFPVUXUVSWQJQT-WOYWJMKDSA-N. The full InChI is InChI=1S/C18H32F2O3Si/c1-7-8-9-14(19)15(23-24(5,6)18(2,3)4)11-10-13-12-22-17(21)16(13)20/h10-11,13-16H,7-9,12H2,1-6H3/b11-10+/t13-,14?,15?,16-/m1/s1.
What are the key properties of (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one?
(3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one has a molecular weight of 362.53 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluorooxolan-2-one is sourced from PubChem (CID 70435644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).