1,1,2,3-tetrabutyl-4,5-dimethylsilole

C22H42Si — CID 67184273

IUPAC1,1,2,3-tetrabutyl-4,5-dimethylsilole
SMILESCCCCC1=C(CCCC)[Si](CCCC)(CCCC)C(C)=C1C
InChIInChI=1S/C22H42Si/c1-7-11-15-21-19(5)20(6)23(17-13-9-3,18-14-10-4)22(21)16-12-8-2/h7-18H2,1-6H3
InChIKeyXPCZTNLVOSVFOS-UHFFFAOYSA-N
MW334.66 g/mol
LogP8.14
Rot. Bonds12

About 1,1,2,3-tetrabutyl-4,5-dimethylsilole

1,1,2,3-tetrabutyl-4,5-dimethylsilole (PubChem CID 67184273) has the molecular formula C22H42Si and a molecular weight of 334.66 g/mol. Its IUPAC name is 1,1,2,3-tetrabutyl-4,5-dimethylsilole.

Molecular Properties

Compound Name1,1,2,3-tetrabutyl-4,5-dimethylsilole
PubChem CID67184273
Molecular FormulaC22H42Si
Molecular Weight334.66 g/mol
Exact Mass334.31
IUPAC Name1,1,2,3-tetrabutyl-4,5-dimethylsilole
SMILESCCCCC1=C(CCCC)[Si](CCCC)(CCCC)C(C)=C1C
InChIInChI=1S/C22H42Si/c1-7-11-15-21-19(5)20(6)23(17-13-9-3,18-14-10-4)22(21)16-12-8-2/h7-18H2,1-6H3
InChIKeyXPCZTNLVOSVFOS-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.66
LogP ≤ 58.14
H-Bond Donors ≤ 50
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 1,1,2,3-tetrabutyl-4,5-dimethylsilole?
The IUPAC name of 1,1,2,3-tetrabutyl-4,5-dimethylsilole (CID 67184273) is 1,1,2,3-tetrabutyl-4,5-dimethylsilole.
What is the SMILES notation for 1,1,2,3-tetrabutyl-4,5-dimethylsilole?
The canonical SMILES for 1,1,2,3-tetrabutyl-4,5-dimethylsilole is CCCCC1=C(CCCC)[Si](CCCC)(CCCC)C(C)=C1C.
What is the InChIKey of 1,1,2,3-tetrabutyl-4,5-dimethylsilole?
The InChIKey is XPCZTNLVOSVFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42Si/c1-7-11-15-21-19(5)20(6)23(17-13-9-3,18-14-10-4)22(21)16-12-8-2/h7-18H2,1-6H3.
What are the key properties of 1,1,2,3-tetrabutyl-4,5-dimethylsilole?
1,1,2,3-tetrabutyl-4,5-dimethylsilole has a molecular weight of 334.66 g/mol, XLogP of 8.14, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrabutyl-4,5-dimethylsilole is sourced from PubChem (CID 67184273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).