2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid

C24H31FO4Si — CID 172751639

IUPAC2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@](C)(F)[C@H](CC(=O)O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31FO4Si/c1-23(2,3)30(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-17-18-16-24(4,25)21(29-18)15-22(26)27/h5-14,18,21H,15-17H2,1-4H3,(H,26,27)/t18-,21-,24+/m0/s1
InChIKeyKLLBQQVRSVWZHQ-NSXLHWASSA-N
MW430.59 g/mol
LogP3.92
Rot. Bonds7

About 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid

2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid (PubChem CID 172751639) has the molecular formula C24H31FO4Si and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid
PubChem CID172751639
Molecular FormulaC24H31FO4Si
Molecular Weight430.59 g/mol
Exact Mass430.20
IUPAC Name2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@](C)(F)[C@H](CC(=O)O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31FO4Si/c1-23(2,3)30(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-17-18-16-24(4,25)21(29-18)15-22(26)27/h5-14,18,21H,15-17H2,1-4H3,(H,26,27)/t18-,21-,24+/m0/s1
InChIKeyKLLBQQVRSVWZHQ-NSXLHWASSA-N
XLogP3.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid with MolForge

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Related Compounds

tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane
CID 90339250
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-4-yl]acetaldehyde
CID 134945356
(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11070201

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid?
The IUPAC name of 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid (CID 172751639) is 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid is CC(C)(C)[Si](OC[C@@H]1C[C@@](C)(F)[C@H](CC(=O)O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid?
The InChIKey is KLLBQQVRSVWZHQ-NSXLHWASSA-N. The full InChI is InChI=1S/C24H31FO4Si/c1-23(2,3)30(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-17-18-16-24(4,25)21(29-18)15-22(26)27/h5-14,18,21H,15-17H2,1-4H3,(H,26,27)/t18-,21-,24+/m0/s1.
What are the key properties of 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid?
2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid has a molecular weight of 430.59 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid is sourced from PubChem (CID 172751639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).