trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane

C10H17Cl3Si — CID 11334758

IUPACtrichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane
SMILESCC(C)=CCC/C(C)=C/C[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H17Cl3Si/c1-9(2)5-4-6-10(3)7-8-14(11,12)13/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyGKYNOXGCIYHMEZ-JXMROGBWSA-N
MW271.69 g/mol
LogP5.33
Rot. Bonds5

About trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane

trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane (PubChem CID 11334758) has the molecular formula C10H17Cl3Si and a molecular weight of 271.69 g/mol. Its IUPAC name is trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane.

Molecular Properties

Compound Nametrichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane
PubChem CID11334758
Molecular FormulaC10H17Cl3Si
Molecular Weight271.69 g/mol
Exact Mass270.02
IUPAC Nametrichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane
SMILESCC(C)=CCC/C(C)=C/C[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H17Cl3Si/c1-9(2)5-4-6-10(3)7-8-14(11,12)13/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyGKYNOXGCIYHMEZ-JXMROGBWSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.69
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane?
The IUPAC name of trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane (CID 11334758) is trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane.
What is the SMILES notation for trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane?
The canonical SMILES for trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane is CC(C)=CCC/C(C)=C/C[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane?
The InChIKey is GKYNOXGCIYHMEZ-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17Cl3Si/c1-9(2)5-4-6-10(3)7-8-14(11,12)13/h5,7H,4,6,8H2,1-3H3/b10-7+.
What are the key properties of trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane?
trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane has a molecular weight of 271.69 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(2E)-3,7-dimethylocta-2,6-dienyl]silane is sourced from PubChem (CID 11334758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).