1,2,3-trihexyl-1H-silole

C22H42Si — CID 173414308

IUPAC1,2,3-trihexyl-1H-silole
SMILESCCCCCCC1=C(CCCCCC)[SiH](CCCCCC)C=C1
InChIInChI=1S/C22H42Si/c1-4-7-10-13-16-21-18-20-23(19-15-12-9-6-3)22(21)17-14-11-8-5-2/h18,20,23H,4-17,19H2,1-3H3
InChIKeyUNXWWYSJGYWQGA-UHFFFAOYSA-N
MW334.66 g/mol
LogP7.68
Rot. Bonds15

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

1,2,3-trihexyl-1H-silole (PubChem CID 173414308) has the molecular formula C22H42Si and a molecular weight of 334.66 g/mol. Its IUPAC name is 1,2,3-trihexyl-1H-silole.

Molecular Properties

Compound Name1,2,3-trihexyl-1H-silole
PubChem CID173414308
Molecular FormulaC22H42Si
Molecular Weight334.66 g/mol
Exact Mass334.31
IUPAC Name1,2,3-trihexyl-1H-silole
SMILESCCCCCCC1=C(CCCCCC)[SiH](CCCCCC)C=C1
InChIInChI=1S/C22H42Si/c1-4-7-10-13-16-21-18-20-23(19-15-12-9-6-3)22(21)17-14-11-8-5-2/h18,20,23H,4-17,19H2,1-3H3
InChIKeyUNXWWYSJGYWQGA-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.66
LogP ≤ 57.68
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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Related Compounds

[(E)-2-(cyclopenten-1-yl)ethenyl]-trimethylsilane
CID 14175462
trimethyl-[(2E)-5-pentyldeca-2,4-dienyl]silane
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1,1-Dimethyl-2,3,4,5-tetrapropylsilacyclopenta-2,4-diene
CID 12190885
1,1-Dimethyl-2,4-dioctylsilole
CID 101836332
tert-butyl-[(E,4S)-dec-2-en-4-yl]-dimethylsilane
CID 102069007
2,4-Dihexyl-1,1-dimethylsilole
CID 102088905
[1-Deutero-2-(2-deutero1-cycloocten-1-yl)-hex-1-en-1-yl](trimethyl)silane
CID 129754933
(2-1-Cycloocten-1-yl-hex-1-en-1-yl)(trimethyl)-silane
CID 129755114
tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane
CID 134880899
trimethyl-[(2Z)-5-pentyldeca-2,4-dienyl]silane
CID 134993775
trimethyl-[(1E,3E,5Z)-5-methyldodeca-1,3,5-trienyl]silane
CID 135070625
CID 136704370
CID 136704370

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trihexyl-1H-silole?
The IUPAC name of 1,2,3-trihexyl-1H-silole (CID 173414308) is 1,2,3-trihexyl-1H-silole.
What is the SMILES notation for 1,2,3-trihexyl-1H-silole?
The canonical SMILES for 1,2,3-trihexyl-1H-silole is CCCCCCC1=C(CCCCCC)[SiH](CCCCCC)C=C1.
What is the InChIKey of 1,2,3-trihexyl-1H-silole?
The InChIKey is UNXWWYSJGYWQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42Si/c1-4-7-10-13-16-21-18-20-23(19-15-12-9-6-3)22(21)17-14-11-8-5-2/h18,20,23H,4-17,19H2,1-3H3.
What are the key properties of 1,2,3-trihexyl-1H-silole?
1,2,3-trihexyl-1H-silole has a molecular weight of 334.66 g/mol, XLogP of 7.68, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trihexyl-1H-silole is sourced from PubChem (CID 173414308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).