(2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane

C19H36I2Si — CID 71362605

IUPAC(2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane
SMILESCCCCCCC(I)=CC(CCCCCC)=C(I)[Si](C)(C)C
InChIInChI=1S/C19H36I2Si/c1-6-8-10-12-14-17(19(21)22(3,4)5)16-18(20)15-13-11-9-7-2/h16H,6-15H2,1-5H3
InChIKeyVPAAXKGDIDGZPW-UHFFFAOYSA-N
MW546.39 g/mol
LogP8.81
Rot. Bonds12

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

(2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane (PubChem CID 71362605) has the molecular formula C19H36I2Si and a molecular weight of 546.39 g/mol. Its IUPAC name is (2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane.

Molecular Properties

Compound Name(2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane
PubChem CID71362605
Molecular FormulaC19H36I2Si
Molecular Weight546.39 g/mol
Exact Mass546.07
IUPAC Name(2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane
SMILESCCCCCCC(I)=CC(CCCCCC)=C(I)[Si](C)(C)C
InChIInChI=1S/C19H36I2Si/c1-6-8-10-12-14-17(19(21)22(3,4)5)16-18(20)15-13-11-9-7-2/h16H,6-15H2,1-5H3
InChIKeyVPAAXKGDIDGZPW-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.39
LogP ≤ 58.81
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-1,4-diiododeca-1,3-dienyl)-trimethylsilane?
The IUPAC name of (2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane (CID 71362605) is (2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane.
What is the SMILES notation for (2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane?
The canonical SMILES for (2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane is CCCCCCC(I)=CC(CCCCCC)=C(I)[Si](C)(C)C.
What is the InChIKey of (2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane?
The InChIKey is VPAAXKGDIDGZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36I2Si/c1-6-8-10-12-14-17(19(21)22(3,4)5)16-18(20)15-13-11-9-7-2/h16H,6-15H2,1-5H3.
What are the key properties of (2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane?
(2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane has a molecular weight of 546.39 g/mol, XLogP of 8.81, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexyl-1,4-diiododeca-1,3-dienyl)-trimethylsilane is sourced from PubChem (CID 71362605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).