2,3,4-tributyl-5-methyl-1-pentyl-1H-silole

C22H42Si — CID 173051772

IUPAC2,3,4-tributyl-5-methyl-1-pentyl-1H-silole
SMILESCCCCC[SiH]1C(C)=C(CCCC)C(CCCC)=C1CCCC
InChIInChI=1S/C22H42Si/c1-6-10-14-18-23-19(5)20(15-11-7-2)21(16-12-8-3)22(23)17-13-9-4/h23H,6-18H2,1-5H3
InChIKeyFCQWHBMZCRDNDZ-UHFFFAOYSA-N
MW334.66 g/mol
LogP7.68
Rot. Bonds13

About 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole

2,3,4-tributyl-5-methyl-1-pentyl-1H-silole (PubChem CID 173051772) has the molecular formula C22H42Si and a molecular weight of 334.66 g/mol. Its IUPAC name is 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole.

Molecular Properties

Compound Name2,3,4-tributyl-5-methyl-1-pentyl-1H-silole
PubChem CID173051772
Molecular FormulaC22H42Si
Molecular Weight334.66 g/mol
Exact Mass334.31
IUPAC Name2,3,4-tributyl-5-methyl-1-pentyl-1H-silole
SMILESCCCCC[SiH]1C(C)=C(CCCC)C(CCCC)=C1CCCC
InChIInChI=1S/C22H42Si/c1-6-10-14-18-23-19(5)20(15-11-7-2)21(16-12-8-3)22(23)17-13-9-4/h23H,6-18H2,1-5H3
InChIKeyFCQWHBMZCRDNDZ-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole?
The IUPAC name of 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole (CID 173051772) is 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole.
What is the SMILES notation for 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole?
The canonical SMILES for 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole is CCCCC[SiH]1C(C)=C(CCCC)C(CCCC)=C1CCCC.
What is the InChIKey of 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole?
The InChIKey is FCQWHBMZCRDNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42Si/c1-6-10-14-18-23-19(5)20(15-11-7-2)21(16-12-8-3)22(23)17-13-9-4/h23H,6-18H2,1-5H3.
What are the key properties of 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole?
2,3,4-tributyl-5-methyl-1-pentyl-1H-silole has a molecular weight of 334.66 g/mol, XLogP of 7.68, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tributyl-5-methyl-1-pentyl-1H-silole is sourced from PubChem (CID 173051772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).