3-hexyl-1,2-dimethyl-1H-silole

C12H22Si — CID 173240913

IUPAC3-hexyl-1,2-dimethyl-1H-silole
SMILESCCCCCCC1=C(C)[SiH](C)C=C1
InChIInChI=1S/C12H22Si/c1-4-5-6-7-8-12-9-10-13(3)11(12)2/h9-10,13H,4-8H2,1-3H3
InChIKeyRVCVFIPEXIVSLI-UHFFFAOYSA-N
MW194.39 g/mol
LogP3.78
Rot. Bonds5

About 3-hexyl-1,2-dimethyl-1H-silole

3-hexyl-1,2-dimethyl-1H-silole (PubChem CID 173240913) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol. Its IUPAC name is 3-hexyl-1,2-dimethyl-1H-silole.

Molecular Properties

Compound Name3-hexyl-1,2-dimethyl-1H-silole
PubChem CID173240913
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name3-hexyl-1,2-dimethyl-1H-silole
SMILESCCCCCCC1=C(C)[SiH](C)C=C1
InChIInChI=1S/C12H22Si/c1-4-5-6-7-8-12-9-10-13(3)11(12)2/h9-10,13H,4-8H2,1-3H3
InChIKeyRVCVFIPEXIVSLI-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 53.78
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

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1,5-dimethyl-2-octylcyclopenta-1,3-diene
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2-hexyl-1,5-dimethylcyclopenta-1,3-diene chloride
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1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene
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1-methyl-3,5-di(pentadecyl)benzene
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2,3-dihexylbenzene-1,4-diamine
CID 18324632
1-methyl-4-octylbenzene
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2,3-dihexylbenzene-1,4-diol
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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-1,2-dimethyl-1H-silole?
The IUPAC name of 3-hexyl-1,2-dimethyl-1H-silole (CID 173240913) is 3-hexyl-1,2-dimethyl-1H-silole.
What is the SMILES notation for 3-hexyl-1,2-dimethyl-1H-silole?
The canonical SMILES for 3-hexyl-1,2-dimethyl-1H-silole is CCCCCCC1=C(C)[SiH](C)C=C1.
What is the InChIKey of 3-hexyl-1,2-dimethyl-1H-silole?
The InChIKey is RVCVFIPEXIVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-4-5-6-7-8-12-9-10-13(3)11(12)2/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-hexyl-1,2-dimethyl-1H-silole?
3-hexyl-1,2-dimethyl-1H-silole has a molecular weight of 194.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1,2-dimethyl-1H-silole is sourced from PubChem (CID 173240913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).