2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate

C26H34O5Si — CID 10939389

IUPAC2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate
SMILESC=C(COC(C)=O)[C@H]1O[C@@H](OC)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34O5Si/c1-19(18-29-20(2)27)25-23(17-24(28-6)30-25)31-32(26(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-25H,1,17-18H2,2-6H3/t23-,24+,25+/m0/s1
InChIKeyUHHKWJHIHKLXJL-ISJGIBHGSA-N
MW454.64 g/mol
LogP3.81
Rot. Bonds8

About 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate

2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate (PubChem CID 10939389) has the molecular formula C26H34O5Si and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate.

Molecular Properties

Compound Name2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate
PubChem CID10939389
Molecular FormulaC26H34O5Si
Molecular Weight454.64 g/mol
Exact Mass454.22
IUPAC Name2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate
SMILESC=C(COC(C)=O)[C@H]1O[C@@H](OC)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34O5Si/c1-19(18-29-20(2)27)25-23(17-24(28-6)30-25)31-32(26(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-25H,1,17-18H2,2-6H3/t23-,24+,25+/m0/s1
InChIKeyUHHKWJHIHKLXJL-ISJGIBHGSA-N
XLogP3.81
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl 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

(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 177394561
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate
CID 59157894
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 23583995
[(1R,2S,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-formylcyclobutyl]methyl acetate
CID 23255964
2-[(3aR,4R,6aS)-4-[tert-butyl(diphenyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]acetic acid;4-nitrobenzoic acid
CID 175949814
[(2S,5R,6R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 171124282
2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate
CID 11340896
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-amino-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 50937055
[(1S,3S,4S,5R)-3-acetyloxy-5-[tert-butyl(diphenyl)silyl]oxy-4-methylcyclohexyl] acetate
CID 10863628
[(2S,3R,4S,5R,6S)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl] acetate
CID 101050608
5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione
CID 11050598
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate?
The IUPAC name of 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate (CID 10939389) is 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate.
What is the SMILES notation for 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate?
The canonical SMILES for 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate is C=C(COC(C)=O)[C@H]1O[C@@H](OC)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate?
The InChIKey is UHHKWJHIHKLXJL-ISJGIBHGSA-N. The full InChI is InChI=1S/C26H34O5Si/c1-19(18-29-20(2)27)25-23(17-24(28-6)30-25)31-32(26(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-25H,1,17-18H2,2-6H3/t23-,24+,25+/m0/s1.
What are the key properties of 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate?
2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate has a molecular weight of 454.64 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate is sourced from PubChem (CID 10939389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).