(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

C18H30O6Si2 — CID 10862237

IUPAC(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
SMILESCC1=CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1OC(=O)C=C1C
InChIInChI=1S/C18H30O6Si2/c1-11-9-13(19)21-15(11)17(23-25(3,4)5)18(24-26(6,7)8)16-12(2)10-14(20)22-16/h9-10,15-18H,1-8H3/t15-,16-,17+,18+/m0/s1
InChIKeyJOHSGSQXPGNFOI-WNRNVDISSA-N
MW398.60 g/mol
LogP3.17
Rot. Bonds7

About (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

(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 (PubChem CID 10862237) has the molecular formula C18H30O6Si2 and a molecular weight of 398.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10862237
Molecular FormulaC18H30O6Si2
Molecular Weight398.60 g/mol
Exact Mass398.16
IUPAC Name(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
SMILESCC1=CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1OC(=O)C=C1C
InChIInChI=1S/C18H30O6Si2/c1-11-9-13(19)21-15(11)17(23-25(3,4)5)18(24-26(6,7)8)16-12(2)10-14(20)22-16/h9-10,15-18H,1-8H3/t15-,16-,17+,18+/m0/s1
InChIKeyJOHSGSQXPGNFOI-WNRNVDISSA-N
XLogP3.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

octyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylideneoxan-2-yl]-3-methylbut-2-enoate
CID 101185873
methyl (E)-4-[(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]-3-methylbut-2-enoate
CID 102146553
(2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
CID 101029125
(4S,5S,7S,E)-Ethyl 4,5,7-tris(tert-butyldimethylsilyloxy)-2-methyloct-2-enoate
CID 11353660
[1-acetyloxy-1-(5-oxo-2H-furan-3-yl)tridecan-2-yl] acetate
CID 18949908
Ethyl(2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate
CID 131735088
ethyl (E,4S,5S,7R)-4,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enoate
CID 140658612
ethyl (E,4R,5R,7R)-4,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enoate
CID 140658625
(2R)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one
CID 10503382
(2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one
CID 10789351
(2R)-2-[(1R,2R)-2-[(2R)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
CID 10883172
octyl (E)-4-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylideneoxan-2-yl]-3-methylbut-2-enoate
CID 10972188

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1=CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1OC(=O)C=C1C.
What is the InChIKey of (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?
The InChIKey is JOHSGSQXPGNFOI-WNRNVDISSA-N. The full InChI is InChI=1S/C18H30O6Si2/c1-11-9-13(19)21-15(11)17(23-25(3,4)5)18(24-26(6,7)8)16-12(2)10-14(20)22-16/h9-10,15-18H,1-8H3/t15-,16-,17+,18+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 398.60 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10862237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).