(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one

C17H26O3SSi — CID 10246539

IUPAC(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)O[C@H]1CSc1ccccc1
InChIInChI=1S/C17H26O3SSi/c1-17(2,3)22(4,5)20-14-11-16(18)19-15(14)12-21-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15+/m1/s1
InChIKeyDEOPRKMGSKZUGV-CABCVRRESA-N
MW338.55 g/mol
LogP4.48
Rot. Bonds5

About (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one

(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one (PubChem CID 10246539) has the molecular formula C17H26O3SSi and a molecular weight of 338.55 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one
PubChem CID10246539
Molecular FormulaC17H26O3SSi
Molecular Weight338.55 g/mol
Exact Mass338.14
IUPAC Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)O[C@H]1CSc1ccccc1
InChIInChI=1S/C17H26O3SSi/c1-17(2,3)22(4,5)20-14-11-16(18)19-15(14)12-21-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15+/m1/s1
InChIKeyDEOPRKMGSKZUGV-CABCVRRESA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 54.48
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

trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)sulfanylcyclopentan-1-one
CID 10308806
5(S)-5-Methyl-2-(phenylthio)-dihydrofuran-2(3H)-one
CID 10262470
tert-butyl (3R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)sulfanylbutanoate
CID 10742378
methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11058149
TBDMS(-3)[TBDMS(-5)]2-deoxy-D-eryPenf-SPh
CID 11408425
5-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylsulfanyloxolan-2-one
CID 15928054
phenyl 2-O-acetyl-3,4-bis-O-(triethylsilyl)-1-thio-beta-l-arabinopyranoside
CID 129755566
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanoate
CID 138977897
(3S,4S,5R)-4-hydroxy-5-methyl-3-phenylsulfanyloxolan-2-one
CID 139091577
ethyl (3R,4R,5Z,7E)-3-[tert-butyl(dimethyl)silyl]oxy-8-cyano-4-(4-fluorophenyl)sulfanylocta-5,7-dienoate
CID 11387735
ethyl (3R,5Z,7E)-3-[tert-butyl(dimethyl)silyl]oxy-8-cyano-4-(4-fluorophenyl)sulfanylocta-5,7-dienoate
CID 101265769
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluoro-2-phenylsulfanylpentanoate
CID 101549516

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one?
The IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one (CID 10246539) is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one?
The canonical SMILES for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)O[C@H]1CSc1ccccc1.
What is the InChIKey of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one?
The InChIKey is DEOPRKMGSKZUGV-CABCVRRESA-N. The full InChI is InChI=1S/C17H26O3SSi/c1-17(2,3)22(4,5)20-14-11-16(18)19-15(14)12-21-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one?
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one has a molecular weight of 338.55 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylsulfanylmethyl)oxolan-2-one is sourced from PubChem (CID 10246539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).