2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one

C13H24O4Si — CID 134857738

IUPAC2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-9(17-18(6,7)13(2,3)4)12-10(15-5)8-11(14)16-12/h8-9,12H,1-7H3/t9-,12?/m0/s1
InChIKeyQUZRISZBAAIDAH-QHGLUPRGSA-N
MW272.42 g/mol
LogP2.85
Rot. Bonds4

About 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one

2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one (PubChem CID 134857738) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one
PubChem CID134857738
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-9(17-18(6,7)13(2,3)4)12-10(15-5)8-11(14)16-12/h8-9,12H,1-7H3/t9-,12?/m0/s1
InChIKeyQUZRISZBAAIDAH-QHGLUPRGSA-N
XLogP2.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.85
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

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
methyl (2E)-2-[(3S,4R)-3,4-dimethoxyoxolan-2-ylidene]acetate
CID 11788906
Methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15642663
methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate
CID 24749922
tert-butyl (Z)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 46193207
methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 71567018
5-(hydroxymethyl)-4-(2-(trimethylsilyl)ethoxy)furan-2(5H)-one
CID 86063697
methyl (2E)-2-[(4S)-4-methoxyoxolan-2-ylidene]acetate
CID 101144102

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one?
The IUPAC name of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one (CID 134857738) is 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one?
The canonical SMILES for 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one is COC1=CC(=O)OC1[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one?
The InChIKey is QUZRISZBAAIDAH-QHGLUPRGSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-9(17-18(6,7)13(2,3)4)12-10(15-5)8-11(14)16-12/h8-9,12H,1-7H3/t9-,12?/m0/s1.
What are the key properties of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one?
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one has a molecular weight of 272.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 134857738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).