[3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane

C21H33NSi — CID 57475133

IUPAC[3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane
SMILESCC[Si](CC)(CC)c1[nH]c2ccccc2c1CC1CCCCC1
InChIInChI=1S/C21H33NSi/c1-4-23(5-2,6-3)21-19(16-17-12-8-7-9-13-17)18-14-10-11-15-20(18)22-21/h10-11,14-15,17,22H,4-9,12-13,16H2,1-3H3
InChIKeyBCBONMBPLCXDJA-UHFFFAOYSA-N
MW327.59 g/mol
LogP6.01
Rot. Bonds6

About [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane

[3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane (PubChem CID 57475133) has the molecular formula C21H33NSi and a molecular weight of 327.59 g/mol. Its IUPAC name is [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane.

Molecular Properties

Compound Name[3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane
PubChem CID57475133
Molecular FormulaC21H33NSi
Molecular Weight327.59 g/mol
Exact Mass327.24
IUPAC Name[3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane
SMILESCC[Si](CC)(CC)c1[nH]c2ccccc2c1CC1CCCCC1
InChIInChI=1S/C21H33NSi/c1-4-23(5-2,6-3)21-19(16-17-12-8-7-9-13-17)18-14-10-11-15-20(18)22-21/h10-11,14-15,17,22H,4-9,12-13,16H2,1-3H3
InChIKeyBCBONMBPLCXDJA-UHFFFAOYSA-N
XLogP6.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.59
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane?
The IUPAC name of [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane (CID 57475133) is [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane.
What is the SMILES notation for [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane?
The canonical SMILES for [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane is CC[Si](CC)(CC)c1[nH]c2ccccc2c1CC1CCCCC1.
What is the InChIKey of [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane?
The InChIKey is BCBONMBPLCXDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NSi/c1-4-23(5-2,6-3)21-19(16-17-12-8-7-9-13-17)18-14-10-11-15-20(18)22-21/h10-11,14-15,17,22H,4-9,12-13,16H2,1-3H3.
What are the key properties of [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane?
[3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane has a molecular weight of 327.59 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane is sourced from PubChem (CID 57475133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).