5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol

C24H32O4Si — CID 71762185

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol
SMILESCc1coc(-c2ccc3c(O[Si](C)(C)C(C)(C)C)cccc3c2O)c1C(C)(C)O
InChIInChI=1S/C24H32O4Si/c1-15-14-27-22(20(15)24(5,6)26)18-13-12-16-17(21(18)25)10-9-11-19(16)28-29(7,8)23(2,3)4/h9-14,25-26H,1-8H3
InChIKeyKTXZKDGCFKYXQZ-UHFFFAOYSA-N
MW412.60 g/mol
LogP6.73
Rot. Bonds4

About 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol

5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol (PubChem CID 71762185) has the molecular formula C24H32O4Si and a molecular weight of 412.60 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol
PubChem CID71762185
Molecular FormulaC24H32O4Si
Molecular Weight412.60 g/mol
Exact Mass412.21
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol
SMILESCc1coc(-c2ccc3c(O[Si](C)(C)C(C)(C)C)cccc3c2O)c1C(C)(C)O
InChIInChI=1S/C24H32O4Si/c1-15-14-27-22(20(15)24(5,6)26)18-13-12-16-17(21(18)25)10-9-11-19(16)28-29(7,8)23(2,3)4/h9-14,25-26H,1-8H3
InChIKeyKTXZKDGCFKYXQZ-UHFFFAOYSA-N
XLogP6.73
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol (CID 71762185) is 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol is Cc1coc(-c2ccc3c(O[Si](C)(C)C(C)(C)C)cccc3c2O)c1C(C)(C)O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol?
The InChIKey is KTXZKDGCFKYXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4Si/c1-15-14-27-22(20(15)24(5,6)26)18-13-12-16-17(21(18)25)10-9-11-19(16)28-29(7,8)23(2,3)4/h9-14,25-26H,1-8H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol?
5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol has a molecular weight of 412.60 g/mol, XLogP of 6.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-hydroxypropan-2-yl)-4-methylfuran-2-yl]naphthalen-1-ol is sourced from PubChem (CID 71762185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).