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

C23H30O4Si — CID 10620908

IUPAC[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H30O4Si/c1-18(24)26-22-16-15-19(27-22)17-25-28(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-17H2,1-4H3/t19-,22?/m1/s1
InChIKeyMFXNBURURWOKBZ-LCQOSCCDSA-N
MW398.58 g/mol
LogP3.63
Rot. Bonds6

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

[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate (PubChem CID 10620908) has the molecular formula C23H30O4Si and a molecular weight of 398.58 g/mol. Its IUPAC name is [(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate
PubChem CID10620908
Molecular FormulaC23H30O4Si
Molecular Weight398.58 g/mol
Exact Mass398.19
IUPAC Name[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H30O4Si/c1-18(24)26-22-16-15-19(27-22)17-25-28(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-17H2,1-4H3/t19-,22?/m1/s1
InChIKeyMFXNBURURWOKBZ-LCQOSCCDSA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate
CID 161404652
tert-Butyl((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)diphenylsilane
CID 3288786
[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate
CID 11541653
1-(((4S)-2,2-Dimethyl(1,3-dioxolan-4-yl))methoxy)-2,2-dimethyl-1,1-diphenyl-1-silapropane
CID 10714242
(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 11002733
(3aR,5R,6aS)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethyldihydrofuro[2,3-d][1,3]dioxol-6(3aH)-one
CID 11004448
methyl 5-O-t-butyldiphenylsilyl-2-deoxy-d-erythro-pentofuranoside
CID 11047329
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
CID 14044782
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentyl] acetate
CID 357861
[(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 10788072
[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 12042799
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 15218398

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate?
The IUPAC name of [(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate (CID 10620908) is [(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate.
What is the SMILES notation for [(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate?
The canonical SMILES for [(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate is CC(=O)OC1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate?
The InChIKey is MFXNBURURWOKBZ-LCQOSCCDSA-N. The full InChI is InChI=1S/C23H30O4Si/c1-18(24)26-22-16-15-19(27-22)17-25-28(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-17H2,1-4H3/t19-,22?/m1/s1.
What are the key properties of [(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate?
[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate has a molecular weight of 398.58 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate is sourced from PubChem (CID 10620908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).