2,5-dibutyl-3-ethyl-1,1-dimethylsilole

C16H30Si — CID 15151076

IUPAC2,5-dibutyl-3-ethyl-1,1-dimethylsilole
SMILESCCCCC1=CC(CC)=C(CCCC)[Si]1(C)C
InChIInChI=1S/C16H30Si/c1-6-9-11-15-13-14(8-3)16(12-10-7-2)17(15,4)5/h13H,6-12H2,1-5H3
InChIKeyIZNCHYPMRNKATE-UHFFFAOYSA-N
MW250.50 g/mol
LogP5.80
Rot. Bonds7

About 2,5-dibutyl-3-ethyl-1,1-dimethylsilole

2,5-dibutyl-3-ethyl-1,1-dimethylsilole (PubChem CID 15151076) has the molecular formula C16H30Si and a molecular weight of 250.50 g/mol. Its IUPAC name is 2,5-dibutyl-3-ethyl-1,1-dimethylsilole.

Molecular Properties

Compound Name2,5-dibutyl-3-ethyl-1,1-dimethylsilole
PubChem CID15151076
Molecular FormulaC16H30Si
Molecular Weight250.50 g/mol
Exact Mass250.21
IUPAC Name2,5-dibutyl-3-ethyl-1,1-dimethylsilole
SMILESCCCCC1=CC(CC)=C(CCCC)[Si]1(C)C
InChIInChI=1S/C16H30Si/c1-6-9-11-15-13-14(8-3)16(12-10-7-2)17(15,4)5/h13H,6-12H2,1-5H3
InChIKeyIZNCHYPMRNKATE-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 123628431
[2,5-bis(4-butylphenyl)-3-ethylpyrrol-1-ium-1-ylidene]azanide
CID 87821970
[2,5-bis(3,5-dibutylphenyl)-3-ethylpyrrol-1-ium-1-ylidene]azanide
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Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-3-ethyl-1,1-dimethylsilole?
The IUPAC name of 2,5-dibutyl-3-ethyl-1,1-dimethylsilole (CID 15151076) is 2,5-dibutyl-3-ethyl-1,1-dimethylsilole.
What is the SMILES notation for 2,5-dibutyl-3-ethyl-1,1-dimethylsilole?
The canonical SMILES for 2,5-dibutyl-3-ethyl-1,1-dimethylsilole is CCCCC1=CC(CC)=C(CCCC)[Si]1(C)C.
What is the InChIKey of 2,5-dibutyl-3-ethyl-1,1-dimethylsilole?
The InChIKey is IZNCHYPMRNKATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30Si/c1-6-9-11-15-13-14(8-3)16(12-10-7-2)17(15,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 2,5-dibutyl-3-ethyl-1,1-dimethylsilole?
2,5-dibutyl-3-ethyl-1,1-dimethylsilole has a molecular weight of 250.50 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-3-ethyl-1,1-dimethylsilole is sourced from PubChem (CID 15151076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).