[4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol

C23H41NO4Si2 — CID 10694918

IUPAC[4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol
SMILESCOc1c(C)c(O[Si](C)(C)C(C)(C)C)c2[nH]c(CO)cc2c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H41NO4Si2/c1-15-19(27-29(9,10)22(2,3)4)18-17(13-16(14-25)24-18)21(20(15)26-8)28-30(11,12)23(5,6)7/h13,24-25H,14H2,1-12H3
InChIKeyQUDIIYUEXPETGJ-UHFFFAOYSA-N
MW451.76 g/mol
LogP6.75
Rot. Bonds6

About [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol

[4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol (PubChem CID 10694918) has the molecular formula C23H41NO4Si2 and a molecular weight of 451.76 g/mol. Its IUPAC name is [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol
PubChem CID10694918
Molecular FormulaC23H41NO4Si2
Molecular Weight451.76 g/mol
Exact Mass451.26
IUPAC Name[4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol
SMILESCOc1c(C)c(O[Si](C)(C)C(C)(C)C)c2[nH]c(CO)cc2c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H41NO4Si2/c1-15-19(27-29(9,10)22(2,3)4)18-17(13-16(14-25)24-18)21(20(15)26-8)28-30(11,12)23(5,6)7/h13,24-25H,14H2,1-12H3
InChIKeyQUDIIYUEXPETGJ-UHFFFAOYSA-N
XLogP6.75
TPSA63.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.76
LogP ≤ 56.75
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 [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol?
The IUPAC name of [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol (CID 10694918) is [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol.
What is the SMILES notation for [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol?
The canonical SMILES for [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol is COc1c(C)c(O[Si](C)(C)C(C)(C)C)c2[nH]c(CO)cc2c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol?
The InChIKey is QUDIIYUEXPETGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO4Si2/c1-15-19(27-29(9,10)22(2,3)4)18-17(13-16(14-25)24-18)21(20(15)26-8)28-30(11,12)23(5,6)7/h13,24-25H,14H2,1-12H3.
What are the key properties of [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol?
[4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol has a molecular weight of 451.76 g/mol, XLogP of 6.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol is sourced from PubChem (CID 10694918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).