1,2,3-trioctyl-1H-silole

C28H54Si — CID 173370013

IUPAC1,2,3-trioctyl-1H-silole
SMILESCCCCCCCCC1=C(CCCCCCCC)[SiH](CCCCCCCC)C=C1
InChIInChI=1S/C28H54Si/c1-4-7-10-13-16-19-22-27-24-26-29(25-21-18-15-12-9-6-3)28(27)23-20-17-14-11-8-5-2/h24,26,29H,4-23,25H2,1-3H3
InChIKeyILJFURRGFAKOGU-UHFFFAOYSA-N
MW418.83 g/mol
LogP10.02
Rot. Bonds21

About 1,2,3-trioctyl-1H-silole

1,2,3-trioctyl-1H-silole (PubChem CID 173370013) has the molecular formula C28H54Si and a molecular weight of 418.83 g/mol. Its IUPAC name is 1,2,3-trioctyl-1H-silole.

Molecular Properties

Compound Name1,2,3-trioctyl-1H-silole
PubChem CID173370013
Molecular FormulaC28H54Si
Molecular Weight418.83 g/mol
Exact Mass418.40
IUPAC Name1,2,3-trioctyl-1H-silole
SMILESCCCCCCCCC1=C(CCCCCCCC)[SiH](CCCCCCCC)C=C1
InChIInChI=1S/C28H54Si/c1-4-7-10-13-16-19-22-27-24-26-29(25-21-18-15-12-9-6-3)28(27)23-20-17-14-11-8-5-2/h24,26,29H,4-23,25H2,1-3H3
InChIKeyILJFURRGFAKOGU-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.83
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 1,2,3-trioctyl-1H-silole?
The IUPAC name of 1,2,3-trioctyl-1H-silole (CID 173370013) is 1,2,3-trioctyl-1H-silole.
What is the SMILES notation for 1,2,3-trioctyl-1H-silole?
The canonical SMILES for 1,2,3-trioctyl-1H-silole is CCCCCCCCC1=C(CCCCCCCC)[SiH](CCCCCCCC)C=C1.
What is the InChIKey of 1,2,3-trioctyl-1H-silole?
The InChIKey is ILJFURRGFAKOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54Si/c1-4-7-10-13-16-19-22-27-24-26-29(25-21-18-15-12-9-6-3)28(27)23-20-17-14-11-8-5-2/h24,26,29H,4-23,25H2,1-3H3.
What are the key properties of 1,2,3-trioctyl-1H-silole?
1,2,3-trioctyl-1H-silole has a molecular weight of 418.83 g/mol, XLogP of 10.02, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trioctyl-1H-silole is sourced from PubChem (CID 173370013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).