[(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane

C29H32OSi — CID 101410184

IUPAC[(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane
SMILESC=CC/C(=C\[Si](Oc1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H32OSi/c1-2-15-26(25-16-7-3-8-17-25)24-31(28-20-11-5-12-21-28,29-22-13-6-14-23-29)30-27-18-9-4-10-19-27/h2,4-6,9-14,18-25H,1,3,7-8,15-17H2/b26-24+
InChIKeyNEZZEQQGFSPCNG-SHHOIMCASA-N
MW424.66 g/mol
LogP6.45
Rot. Bonds8

About [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane

[(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane (PubChem CID 101410184) has the molecular formula C29H32OSi and a molecular weight of 424.66 g/mol. Its IUPAC name is [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane.

Molecular Properties

Compound Name[(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane
PubChem CID101410184
Molecular FormulaC29H32OSi
Molecular Weight424.66 g/mol
Exact Mass424.22
IUPAC Name[(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane
SMILESC=CC/C(=C\[Si](Oc1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H32OSi/c1-2-15-26(25-16-7-3-8-17-25)24-31(28-20-11-5-12-21-28,29-22-13-6-14-23-29)30-27-18-9-4-10-19-27/h2,4-6,9-14,18-25H,1,3,7-8,15-17H2/b26-24+
InChIKeyNEZZEQQGFSPCNG-SHHOIMCASA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.66
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 85560
CID 85560
CID 102045
CID 102045
CID 87746
CID 87746
CID 6426512
CID 6426512
CID 165216
CID 165216
CID 532598
CID 532598
CID 532639
CID 532639
CID 532687
CID 532687
CID 91550303
CID 91550303
CID 6426529
CID 6426529
CID 261118
CID 261118
CID 15146058
CID 15146058

Frequently Asked Questions

What is the IUPAC name of [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane?
The IUPAC name of [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane (CID 101410184) is [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane.
What is the SMILES notation for [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane?
The canonical SMILES for [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane is C=CC/C(=C\[Si](Oc1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane?
The InChIKey is NEZZEQQGFSPCNG-SHHOIMCASA-N. The full InChI is InChI=1S/C29H32OSi/c1-2-15-26(25-16-7-3-8-17-25)24-31(28-20-11-5-12-21-28,29-22-13-6-14-23-29)30-27-18-9-4-10-19-27/h2,4-6,9-14,18-25H,1,3,7-8,15-17H2/b26-24+.
What are the key properties of [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane?
[(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane has a molecular weight of 424.66 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane is sourced from PubChem (CID 101410184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).