3,4-bis(2-ethylhexyl)-3H-silole

C20H38Si — CID 150573472

IUPAC3,4-bis(2-ethylhexyl)-3H-silole
SMILESCCCCC(CC)CC1=C[SiH]=CC1CC(CC)CCCC
InChIInChI=1S/C20H38Si/c1-5-9-11-17(7-3)13-19-15-21-16-20(19)14-18(8-4)12-10-6-2/h15-19,21H,5-14H2,1-4H3
InChIKeyIMIDWZJXFVUDGE-UHFFFAOYSA-N
MW306.61 g/mol
LogP5.95
Rot. Bonds12

About 3,4-bis(2-ethylhexyl)-3H-silole

3,4-bis(2-ethylhexyl)-3H-silole (PubChem CID 150573472) has the molecular formula C20H38Si and a molecular weight of 306.61 g/mol. Its IUPAC name is 3,4-bis(2-ethylhexyl)-3H-silole.

Molecular Properties

Compound Name3,4-bis(2-ethylhexyl)-3H-silole
PubChem CID150573472
Molecular FormulaC20H38Si
Molecular Weight306.61 g/mol
Exact Mass306.27
IUPAC Name3,4-bis(2-ethylhexyl)-3H-silole
SMILESCCCCC(CC)CC1=C[SiH]=CC1CC(CC)CCCC
InChIInChI=1S/C20H38Si/c1-5-9-11-17(7-3)13-19-15-21-16-20(19)14-18(8-4)12-10-6-2/h15-19,21H,5-14H2,1-4H3
InChIKeyIMIDWZJXFVUDGE-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.61
LogP ≤ 55.95
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 3,4-bis(2-ethylhexyl)-3H-silole?
The IUPAC name of 3,4-bis(2-ethylhexyl)-3H-silole (CID 150573472) is 3,4-bis(2-ethylhexyl)-3H-silole.
What is the SMILES notation for 3,4-bis(2-ethylhexyl)-3H-silole?
The canonical SMILES for 3,4-bis(2-ethylhexyl)-3H-silole is CCCCC(CC)CC1=C[SiH]=CC1CC(CC)CCCC.
What is the InChIKey of 3,4-bis(2-ethylhexyl)-3H-silole?
The InChIKey is IMIDWZJXFVUDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38Si/c1-5-9-11-17(7-3)13-19-15-21-16-20(19)14-18(8-4)12-10-6-2/h15-19,21H,5-14H2,1-4H3.
What are the key properties of 3,4-bis(2-ethylhexyl)-3H-silole?
3,4-bis(2-ethylhexyl)-3H-silole has a molecular weight of 306.61 g/mol, XLogP of 5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-ethylhexyl)-3H-silole is sourced from PubChem (CID 150573472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).