(2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane

C20H39ISi — CID 71417750

IUPAC(2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane
SMILESCCCCCCC(C)=CC(CCCCCC)=C(I)[Si](C)(C)C
InChIInChI=1S/C20H39ISi/c1-7-9-11-13-15-18(3)17-19(16-14-12-10-8-2)20(21)22(4,5)6/h17H,7-16H2,1-6H3
InChIKeyHHANLCKLWXUBKG-UHFFFAOYSA-N
MW434.52 g/mol
LogP8.44
Rot. Bonds12

About (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane

(2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane (PubChem CID 71417750) has the molecular formula C20H39ISi and a molecular weight of 434.52 g/mol. Its IUPAC name is (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane.

Molecular Properties

Compound Name(2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane
PubChem CID71417750
Molecular FormulaC20H39ISi
Molecular Weight434.52 g/mol
Exact Mass434.19
IUPAC Name(2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane
SMILESCCCCCCC(C)=CC(CCCCCC)=C(I)[Si](C)(C)C
InChIInChI=1S/C20H39ISi/c1-7-9-11-13-15-18(3)17-19(16-14-12-10-8-2)20(21)22(4,5)6/h17H,7-16H2,1-6H3
InChIKeyHHANLCKLWXUBKG-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 58.44
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane?
The IUPAC name of (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane (CID 71417750) is (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane.
What is the SMILES notation for (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane?
The canonical SMILES for (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane is CCCCCCC(C)=CC(CCCCCC)=C(I)[Si](C)(C)C.
What is the InChIKey of (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane?
The InChIKey is HHANLCKLWXUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39ISi/c1-7-9-11-13-15-18(3)17-19(16-14-12-10-8-2)20(21)22(4,5)6/h17H,7-16H2,1-6H3.
What are the key properties of (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane?
(2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane has a molecular weight of 434.52 g/mol, XLogP of 8.44, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexyl-1-iodo-4-methyldeca-1,3-dienyl)-trimethylsilane is sourced from PubChem (CID 71417750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).