3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane

C25H35NOSi — CID 135008601

IUPAC3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane
SMILESCc1c(CCCO[Si](C)(C)C(C)(C)C)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H35NOSi/c1-20-22(16-12-18-27-28(5,6)25(2,3)4)23-15-10-11-17-24(23)26(20)19-21-13-8-7-9-14-21/h7-11,13-15,17H,12,16,18-19H2,1-6H3
InChIKeyHVQSFVJHOYSQER-UHFFFAOYSA-N
MW393.65 g/mol
LogP6.95
Rot. Bonds7

About 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane

3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane (PubChem CID 135008601) has the molecular formula C25H35NOSi and a molecular weight of 393.65 g/mol. Its IUPAC name is 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane
PubChem CID135008601
Molecular FormulaC25H35NOSi
Molecular Weight393.65 g/mol
Exact Mass393.25
IUPAC Name3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane
SMILESCc1c(CCCO[Si](C)(C)C(C)(C)C)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H35NOSi/c1-20-22(16-12-18-27-28(5,6)25(2,3)4)23-15-10-11-17-24(23)26(20)19-21-13-8-7-9-14-21/h7-11,13-15,17H,12,16,18-19H2,1-6H3
InChIKeyHVQSFVJHOYSQER-UHFFFAOYSA-N
XLogP6.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.65
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane (CID 135008601) is 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane is Cc1c(CCCO[Si](C)(C)C(C)(C)C)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane?
The InChIKey is HVQSFVJHOYSQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NOSi/c1-20-22(16-12-18-27-28(5,6)25(2,3)4)23-15-10-11-17-24(23)26(20)19-21-13-8-7-9-14-21/h7-11,13-15,17H,12,16,18-19H2,1-6H3.
What are the key properties of 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane?
3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane has a molecular weight of 393.65 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2-methylindol-3-yl)propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135008601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).