(2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one

C21H40O5Si2 — CID 10670227

IUPAC(2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C1=C[C@@H]([C@@H](O)CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C21H40O5Si2/c1-20(2,3)27(7,8)24-13-11-12-16-14-18(26-19(16)23)17(22)15-25-28(9,10)21(4,5)6/h11-12,14,17-18,22H,13,15H2,1-10H3/b12-11+/t17-,18-/m0/s1
InChIKeyLFGXNHDXZFFBJQ-JWSDNSILSA-N
MW428.72 g/mol
LogP4.80
Rot. Bonds8

About (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one

(2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one (PubChem CID 10670227) has the molecular formula C21H40O5Si2 and a molecular weight of 428.72 g/mol. Its IUPAC name is (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one
PubChem CID10670227
Molecular FormulaC21H40O5Si2
Molecular Weight428.72 g/mol
Exact Mass428.24
IUPAC Name(2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C1=C[C@@H]([C@@H](O)CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C21H40O5Si2/c1-20(2,3)27(7,8)24-13-11-12-16-14-18(26-19(16)23)17(22)15-25-28(9,10)21(4,5)6/h11-12,14,17-18,22H,13,15H2,1-10H3/b12-11+/t17-,18-/m0/s1
InChIKeyLFGXNHDXZFFBJQ-JWSDNSILSA-N
XLogP4.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.72
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one with MolForge

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Related Compounds

(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one
CID 11780673
(3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one
CID 57409059
(4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one
CID 10780718
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane
CID 67464197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 102156337
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol
CID 25137337

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one (CID 10670227) is (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one is CC(C)(C)[Si](C)(C)OC/C=C/C1=C[C@@H]([C@@H](O)CO[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one?
The InChIKey is LFGXNHDXZFFBJQ-JWSDNSILSA-N. The full InChI is InChI=1S/C21H40O5Si2/c1-20(2,3)27(7,8)24-13-11-12-16-14-18(26-19(16)23)17(22)15-25-28(9,10)21(4,5)6/h11-12,14,17-18,22H,13,15H2,1-10H3/b12-11+/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one?
(2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one has a molecular weight of 428.72 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one is sourced from PubChem (CID 10670227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).