(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one

C17H26O6Si — CID 169299268

IUPAC(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one
SMILESCOc1ccc(CO[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@@]2(C)O)cc1
InChIInChI=1S/C17H26O6Si/c1-17(19)15(14(23-16(17)18)11-22-24(3,4)5)21-10-12-6-8-13(20-2)9-7-12/h6-9,14-15,19H,10-11H2,1-5H3/t14-,15-,17+/m1/s1
InChIKeyUEUHQCMPXXMSAK-INMHGKMJSA-N
MW354.48 g/mol
LogP2.11
Rot. Bonds7

About (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one

(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one (PubChem CID 169299268) has the molecular formula C17H26O6Si and a molecular weight of 354.48 g/mol. Its IUPAC name is (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one
PubChem CID169299268
Molecular FormulaC17H26O6Si
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one
SMILESCOc1ccc(CO[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@@]2(C)O)cc1
InChIInChI=1S/C17H26O6Si/c1-17(19)15(14(23-16(17)18)11-22-24(3,4)5)21-10-12-6-8-13(20-2)9-7-12/h6-9,14-15,19H,10-11H2,1-5H3/t14-,15-,17+/m1/s1
InChIKeyUEUHQCMPXXMSAK-INMHGKMJSA-N
XLogP2.11
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one
CID 167358439
(3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one
CID 134352834
(1S,4S,5R)-5-[(4-methoxyphenyl)methoxy]bicyclo[2.2.1]heptan-2-one
CID 11481987
[(2R,3R,4R)-4-hydroxy-3-(3-methoxybenzoyl)oxy-4-methyl-5-oxooxolan-2-yl]methyl 3-methoxybenzoate
CID 145100193
[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol
CID 53465513
2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one
CID 66367851
(4-methoxyphenyl)methyl hypobromite
CID 166766888
3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 523322
(1R,3S,7R,9R)-8-[(4-methoxyphenyl)methoxy]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 11646597
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol
CID 162420333
[(2R,3R,4S,5S)-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-methyl-4-[(Z)-pent-3-en-2-yl]oxolan-2-yl]methyl acetate
CID 101244421

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one?
The IUPAC name of (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one (CID 169299268) is (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one?
The canonical SMILES for (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one is COc1ccc(CO[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@@]2(C)O)cc1.
What is the InChIKey of (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one?
The InChIKey is UEUHQCMPXXMSAK-INMHGKMJSA-N. The full InChI is InChI=1S/C17H26O6Si/c1-17(19)15(14(23-16(17)18)11-22-24(3,4)5)21-10-12-6-8-13(20-2)9-7-12/h6-9,14-15,19H,10-11H2,1-5H3/t14-,15-,17+/m1/s1.
What are the key properties of (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one?
(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one has a molecular weight of 354.48 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one is sourced from PubChem (CID 169299268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).