methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate

C18H32O6Si — CID 135022680

IUPACmethyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc([C@H](O)[C@@](C)(O)CCO[Si](C)(C)C(C)(C)C)oc1C
InChIInChI=1S/C18H32O6Si/c1-12-13(16(20)22-6)11-14(24-12)15(19)18(5,21)9-10-23-25(7,8)17(2,3)4/h11,15,19,21H,9-10H2,1-8H3/t15-,18-/m0/s1
InChIKeyQJOYYXJPDLMKNJ-YJBOKZPZSA-N
MW372.53 g/mol
LogP3.57
Rot. Bonds7

About methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate

methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate (PubChem CID 135022680) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate
PubChem CID135022680
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Namemethyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc([C@H](O)[C@@](C)(O)CCO[Si](C)(C)C(C)(C)C)oc1C
InChIInChI=1S/C18H32O6Si/c1-12-13(16(20)22-6)11-14(24-12)15(19)18(5,21)9-10-23-25(7,8)17(2,3)4/h11,15,19,21H,9-10H2,1-8H3/t15-,18-/m0/s1
InChIKeyQJOYYXJPDLMKNJ-YJBOKZPZSA-N
XLogP3.57
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate (CID 135022680) is methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc([C@H](O)[C@@](C)(O)CCO[Si](C)(C)C(C)(C)C)oc1C.
What is the InChIKey of methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate?
The InChIKey is QJOYYXJPDLMKNJ-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-12-13(16(20)22-6)11-14(24-12)15(19)18(5,21)9-10-23-25(7,8)17(2,3)4/h11,15,19,21H,9-10H2,1-8H3/t15-,18-/m0/s1.
What are the key properties of methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate?
methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate has a molecular weight of 372.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 135022680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).