2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one

C19H28O6Si — CID 173259006

IUPAC2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one
SMILESCC(C[SiH3])C(C)(C)OC1=C(OCc2ccccc2)C(C(O)CO)OC1=O
InChIInChI=1S/C19H28O6Si/c1-12(11-26)19(2,3)25-17-16(15(14(21)9-20)24-18(17)22)23-10-13-7-5-4-6-8-13/h4-8,12,14-15,20-21H,9-11H2,1-3,26H3
InChIKeyLJHKEOJSEAMTFT-UHFFFAOYSA-N
MW380.51 g/mol
LogP0.91
Rot. Bonds9

About 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one

2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one (PubChem CID 173259006) has the molecular formula C19H28O6Si and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one
PubChem CID173259006
Molecular FormulaC19H28O6Si
Molecular Weight380.51 g/mol
Exact Mass380.17
IUPAC Name2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one
SMILESCC(C[SiH3])C(C)(C)OC1=C(OCc2ccccc2)C(C(O)CO)OC1=O
InChIInChI=1S/C19H28O6Si/c1-12(11-26)19(2,3)25-17-16(15(14(21)9-20)24-18(17)22)23-10-13-7-5-4-6-8-13/h4-8,12,14-15,20-21H,9-11H2,1-3,26H3
InChIKeyLJHKEOJSEAMTFT-UHFFFAOYSA-N
XLogP0.91
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one with MolForge

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Related Compounds

2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 142525192
(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
CID 70356460
(2R)-2-[(1S)-2-(4-butyltriazol-1-yl)-1-hydroxyethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 155541068
(2R)-2-[(1S)-2-(4-decyltriazol-1-yl)-1-hydroxyethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 155534038
(2R)-2-[(1S)-2-[4-(4-bromophenyl)triazol-1-yl]-1-hydroxyethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 155514485
2-[(2S)-2-ethoxy-2-[(2R)-5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl]hexadecanoic acid
CID 118355049
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxy-2-methylpropoxy)-5-oxo-2H-furan-4-yl] 2,3-dihydroxypropanoate
CID 176551611
dibenzyl [2-hydroxy-1-[5-oxo-3,4-bis(thiophen-3-ylmethoxy)-2H-furan-2-yl]ethyl] phosphate
CID 78056578
2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 162753420
2-[(2S)-2-acetyloxy-2-[(2R)-5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl]hexadecanoic acid
CID 118355029
[(1S)-2-hydroxy-1-[(2R)-4-methyl-5-oxo-3-phenylmethoxy-2H-furan-2-yl]ethyl] hexadecanoate
CID 118358919
(2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one
CID 70535901

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one (CID 173259006) is 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one is CC(C[SiH3])C(C)(C)OC1=C(OCc2ccccc2)C(C(O)CO)OC1=O.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one?
The InChIKey is LJHKEOJSEAMTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6Si/c1-12(11-26)19(2,3)25-17-16(15(14(21)9-20)24-18(17)22)23-10-13-7-5-4-6-8-13/h4-8,12,14-15,20-21H,9-11H2,1-3,26H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one has a molecular weight of 380.51 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one is sourced from PubChem (CID 173259006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).