triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane

C18H28Ge — CID 102471462

IUPACtriethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane
SMILESC/C=C/C/C(=C\[Ge](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C18H28Ge/c1-5-9-13-18(17-14-11-10-12-15-17)16-19(6-2,7-3)8-4/h5,9-12,14-16H,6-8,13H2,1-4H3/b9-5+,18-16+
InChIKeyHDRZIFVOBPIRSY-HQKQHSPBSA-N
MW317.03 g/mol
LogP6.08
Rot. Bonds7

About triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane

triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane (PubChem CID 102471462) has the molecular formula C18H28Ge and a molecular weight of 317.03 g/mol. Its IUPAC name is triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane.

Molecular Properties

Compound Nametriethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane
PubChem CID102471462
Molecular FormulaC18H28Ge
Molecular Weight317.03 g/mol
Exact Mass318.14
IUPAC Nametriethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane
SMILESC/C=C/C/C(=C\[Ge](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C18H28Ge/c1-5-9-13-18(17-14-11-10-12-15-17)16-19(6-2,7-3)8-4/h5,9-12,14-16H,6-8,13H2,1-4H3/b9-5+,18-16+
InChIKeyHDRZIFVOBPIRSY-HQKQHSPBSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.03
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane?
The IUPAC name of triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane (CID 102471462) is triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane.
What is the SMILES notation for triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane?
The canonical SMILES for triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane is C/C=C/C/C(=C\[Ge](CC)(CC)CC)c1ccccc1.
What is the InChIKey of triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane?
The InChIKey is HDRZIFVOBPIRSY-HQKQHSPBSA-N. The full InChI is InChI=1S/C18H28Ge/c1-5-9-13-18(17-14-11-10-12-15-17)16-19(6-2,7-3)8-4/h5,9-12,14-16H,6-8,13H2,1-4H3/b9-5+,18-16+.
What are the key properties of triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane?
triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane has a molecular weight of 317.03 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane is sourced from PubChem (CID 102471462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).