(2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one

C16H26O6Si2 — CID 101029125

IUPAC(2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
SMILESC[Si](C)(C)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H]1C=CC(=O)O1)[C@@H]1C=CC(=O)O1
InChIInChI=1S/C16H26O6Si2/c1-23(2,3)21-15(11-7-9-13(17)19-11)16(22-24(4,5)6)12-8-10-14(18)20-12/h7-12,15-16H,1-6H3/t11-,12-,15+,16+/m0/s1
InChIKeyWFZYCVVRYLXGEW-YXAMBPQSSA-N
MW370.55 g/mol
LogP2.39
Rot. Bonds7

About (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one

(2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one (PubChem CID 101029125) has the molecular formula C16H26O6Si2 and a molecular weight of 370.55 g/mol. Its IUPAC name is (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
PubChem CID101029125
Molecular FormulaC16H26O6Si2
Molecular Weight370.55 g/mol
Exact Mass370.13
IUPAC Name(2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
SMILESC[Si](C)(C)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H]1C=CC(=O)O1)[C@@H]1C=CC(=O)O1
InChIInChI=1S/C16H26O6Si2/c1-23(2,3)21-15(11-7-9-13(17)19-11)16(22-24(4,5)6)12-8-10-14(18)20-12/h7-12,15-16H,1-6H3/t11-,12-,15+,16+/m0/s1
InChIKeyWFZYCVVRYLXGEW-YXAMBPQSSA-N
XLogP2.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
(2S)-3-methyl-2-[(1R,2R)-2-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
CID 10862237
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
ethyl (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enoate
CID 11825882
ethyl (E)-3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135014566
ethyl (E)-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 138967963
(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione
CID 138976732
5-(3-(2,2-Dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl][1,3]dioxolan-4-yl)acryloyloxy)hex-2-enoic acid, 2-trimethylsilyl-
CID 5366453
1,3-Dioxolane-4-prop-2-enoic acid, 2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-, methyl ester
CID 5366515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one (CID 101029125) is (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one is C[Si](C)(C)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H]1C=CC(=O)O1)[C@@H]1C=CC(=O)O1.
What is the InChIKey of (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one?
The InChIKey is WFZYCVVRYLXGEW-YXAMBPQSSA-N. The full InChI is InChI=1S/C16H26O6Si2/c1-23(2,3)21-15(11-7-9-13(17)19-11)16(22-24(4,5)6)12-8-10-14(18)20-12/h7-12,15-16H,1-6H3/t11-,12-,15+,16+/m0/s1.
What are the key properties of (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one?
(2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one has a molecular weight of 370.55 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one is sourced from PubChem (CID 101029125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).