[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane

C15H20Si — CID 174010632

IUPAC[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane
SMILESC=C/C=C\C(=C/C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H20Si/c1-5-7-11-14(6-2)16(3,4)15-12-9-8-10-13-15/h5-13H,1H2,2-4H3/b11-7-,14-6+
InChIKeyVMOZBSIFZMSBDX-UICNISDOSA-N
MW228.41 g/mol
LogP3.83
Rot. Bonds4

About [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane

[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane (PubChem CID 174010632) has the molecular formula C15H20Si and a molecular weight of 228.41 g/mol. Its IUPAC name is [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane
PubChem CID174010632
Molecular FormulaC15H20Si
Molecular Weight228.41 g/mol
Exact Mass228.13
IUPAC Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane
SMILESC=C/C=C\C(=C/C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H20Si/c1-5-7-11-14(6-2)16(3,4)15-12-9-8-10-13-15/h5-13H,1H2,2-4H3/b11-7-,14-6+
InChIKeyVMOZBSIFZMSBDX-UICNISDOSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane?
The IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane (CID 174010632) is [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane is C=C/C=C\C(=C/C)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane?
The InChIKey is VMOZBSIFZMSBDX-UICNISDOSA-N. The full InChI is InChI=1S/C15H20Si/c1-5-7-11-14(6-2)16(3,4)15-12-9-8-10-13-15/h5-13H,1H2,2-4H3/b11-7-,14-6+.
What are the key properties of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane?
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 174010632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).