triethoxy-[(E)-1-phenylhex-1-enyl]silane

C18H30O3Si — CID 134946333

IUPACtriethoxy-[(E)-1-phenylhex-1-enyl]silane
SMILESCCCC/C=C(\c1ccccc1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H30O3Si/c1-5-9-11-16-18(17-14-12-10-13-15-17)22(19-6-2,20-7-3)21-8-4/h10,12-16H,5-9,11H2,1-4H3/b18-16+
InChIKeyCSHDAAUHAQKASN-FBMGVBCBSA-N
MW322.52 g/mol
LogP4.85
Rot. Bonds11

About triethoxy-[(E)-1-phenylhex-1-enyl]silane

triethoxy-[(E)-1-phenylhex-1-enyl]silane (PubChem CID 134946333) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is triethoxy-[(E)-1-phenylhex-1-enyl]silane.

Molecular Properties

Compound Nametriethoxy-[(E)-1-phenylhex-1-enyl]silane
PubChem CID134946333
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Nametriethoxy-[(E)-1-phenylhex-1-enyl]silane
SMILESCCCC/C=C(\c1ccccc1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H30O3Si/c1-5-9-11-16-18(17-14-12-10-13-15-17)22(19-6-2,20-7-3)21-8-4/h10,12-16H,5-9,11H2,1-4H3/b18-16+
InChIKeyCSHDAAUHAQKASN-FBMGVBCBSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[(E)-1-phenylhex-1-enyl]silane?
The IUPAC name of triethoxy-[(E)-1-phenylhex-1-enyl]silane (CID 134946333) is triethoxy-[(E)-1-phenylhex-1-enyl]silane.
What is the SMILES notation for triethoxy-[(E)-1-phenylhex-1-enyl]silane?
The canonical SMILES for triethoxy-[(E)-1-phenylhex-1-enyl]silane is CCCC/C=C(\c1ccccc1)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[(E)-1-phenylhex-1-enyl]silane?
The InChIKey is CSHDAAUHAQKASN-FBMGVBCBSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-5-9-11-16-18(17-14-12-10-13-15-17)22(19-6-2,20-7-3)21-8-4/h10,12-16H,5-9,11H2,1-4H3/b18-16+.
What are the key properties of triethoxy-[(E)-1-phenylhex-1-enyl]silane?
triethoxy-[(E)-1-phenylhex-1-enyl]silane has a molecular weight of 322.52 g/mol, XLogP of 4.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(E)-1-phenylhex-1-enyl]silane is sourced from PubChem (CID 134946333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).