3,4-dihexyl-1,1-dimethylsilole

C18H34Si — CID 14960758

IUPAC3,4-dihexyl-1,1-dimethylsilole
SMILESCCCCCCC1=C[Si](C)(C)C=C1CCCCCC
InChIInChI=1S/C18H34Si/c1-5-7-9-11-13-17-15-19(3,4)16-18(17)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyKIJRSJDRMZOVHS-UHFFFAOYSA-N
MW278.56 g/mol
LogP6.58
Rot. Bonds10

About 3,4-dihexyl-1,1-dimethylsilole

3,4-dihexyl-1,1-dimethylsilole (PubChem CID 14960758) has the molecular formula C18H34Si and a molecular weight of 278.56 g/mol. Its IUPAC name is 3,4-dihexyl-1,1-dimethylsilole.

Molecular Properties

Compound Name3,4-dihexyl-1,1-dimethylsilole
PubChem CID14960758
Molecular FormulaC18H34Si
Molecular Weight278.56 g/mol
Exact Mass278.24
IUPAC Name3,4-dihexyl-1,1-dimethylsilole
SMILESCCCCCCC1=C[Si](C)(C)C=C1CCCCCC
InChIInChI=1S/C18H34Si/c1-5-7-9-11-13-17-15-19(3,4)16-18(17)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyKIJRSJDRMZOVHS-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.56
LogP ≤ 56.58
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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2,5-dipentylcyclohexa-2,5-diene-1,4-dione
CID 11149332
3-octadecyl-1H-pyrrole
CID 14890918
henoctacontane
CID 22086342
1-butyl-4-nonylbenzene
CID 59545302
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of 3,4-dihexyl-1,1-dimethylsilole?
The IUPAC name of 3,4-dihexyl-1,1-dimethylsilole (CID 14960758) is 3,4-dihexyl-1,1-dimethylsilole.
What is the SMILES notation for 3,4-dihexyl-1,1-dimethylsilole?
The canonical SMILES for 3,4-dihexyl-1,1-dimethylsilole is CCCCCCC1=C[Si](C)(C)C=C1CCCCCC.
What is the InChIKey of 3,4-dihexyl-1,1-dimethylsilole?
The InChIKey is KIJRSJDRMZOVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34Si/c1-5-7-9-11-13-17-15-19(3,4)16-18(17)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 3,4-dihexyl-1,1-dimethylsilole?
3,4-dihexyl-1,1-dimethylsilole has a molecular weight of 278.56 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihexyl-1,1-dimethylsilole is sourced from PubChem (CID 14960758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).