2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate

C26H34FO4Si- — CID 131737115

IUPAC2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate
SMILESCC(C)(F)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC(=O)[O-]
InChIInChI=1S/C26H35FO4Si/c1-25(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-18-19-16-22(26(4,5)27)23(31-19)17-24(28)29/h6-15,19,22-23H,16-18H2,1-5H3,(H,28,29)/p-1/t19-,22+,23?/m0/s1
InChIKeyLEGIZKYREOSLDB-BEUBQONESA-M
MW457.64 g/mol
LogP3.22
Rot. Bonds8

About 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate

2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate (PubChem CID 131737115) has the molecular formula C26H34FO4Si- and a molecular weight of 457.64 g/mol. Its IUPAC name is 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate.

Molecular Properties

Compound Name2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate
PubChem CID131737115
Molecular FormulaC26H34FO4Si-
Molecular Weight457.64 g/mol
Exact Mass457.22
IUPAC Name2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate
SMILESCC(C)(F)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC(=O)[O-]
InChIInChI=1S/C26H35FO4Si/c1-25(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-18-19-16-22(26(4,5)27)23(31-19)17-24(28)29/h6-15,19,22-23H,16-18H2,1-5H3,(H,28,29)/p-1/t19-,22+,23?/m0/s1
InChIKeyLEGIZKYREOSLDB-BEUBQONESA-M
XLogP3.22
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(1-fluoro-1-methyl-ethyl)tetrahydrofuran-2-one
CID 131737113
2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetic acid
CID 131737116
2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid
CID 172751639
(4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyl-3-fluorooxolan-2-one
CID 173668695
(2S,6aS,9aR)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3,4,5,6,6a,9,9a-octahydrofuro[3,4-b]oxocin-7-one
CID 10343111
methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate
CID 10961482
(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one
CID 14215132
(4S,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 14215134
2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde
CID 25228984
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one
CID 71523783
(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one
CID 71523785
methyl 2-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]acetate
CID 101731373

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate?
The IUPAC name of 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate (CID 131737115) is 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate.
What is the SMILES notation for 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate?
The canonical SMILES for 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate is CC(C)(F)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC(=O)[O-].
What is the InChIKey of 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate?
The InChIKey is LEGIZKYREOSLDB-BEUBQONESA-M. The full InChI is InChI=1S/C26H35FO4Si/c1-25(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-18-19-16-22(26(4,5)27)23(31-19)17-24(28)29/h6-15,19,22-23H,16-18H2,1-5H3,(H,28,29)/p-1/t19-,22+,23?/m0/s1.
What are the key properties of 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate?
2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate has a molecular weight of 457.64 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetate is sourced from PubChem (CID 131737115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).