triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate

C18H40O7Si2 — CID 139977986

IUPACtriethyl [(E)-6-triethoxysilylhex-5-enyl] silicate
SMILESCCO[Si](/C=C/CCCCO[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C18H40O7Si2/c1-7-19-26(20-8-2,21-9-3)18-16-14-13-15-17-25-27(22-10-4,23-11-5)24-12-6/h16,18H,7-15,17H2,1-6H3/b18-16+
InChIKeyROJWITWAWLCZMZ-FBMGVBCBSA-N
MW424.68 g/mol
LogP3.86
Rot. Bonds19

About triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate

triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate (PubChem CID 139977986) has the molecular formula C18H40O7Si2 and a molecular weight of 424.68 g/mol. Its IUPAC name is triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate.

Molecular Properties

Compound Nametriethyl [(E)-6-triethoxysilylhex-5-enyl] silicate
PubChem CID139977986
Molecular FormulaC18H40O7Si2
Molecular Weight424.68 g/mol
Exact Mass424.23
IUPAC Nametriethyl [(E)-6-triethoxysilylhex-5-enyl] silicate
SMILESCCO[Si](/C=C/CCCCO[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C18H40O7Si2/c1-7-19-26(20-8-2,21-9-3)18-16-14-13-15-17-25-27(22-10-4,23-11-5)24-12-6/h16,18H,7-15,17H2,1-6H3/b18-16+
InChIKeyROJWITWAWLCZMZ-FBMGVBCBSA-N
XLogP3.86
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[(E)-hex-1-enyl]silane
CID 11184190
triethoxy(icos-1-enyl)silane
CID 140638362
triethoxy(undec-1-enyl)silane
CID 140758879
triethoxy-[(1E)-octa-1,7-dienyl]silane
CID 22726340
[(E)-6-triethoxysilylhex-5-enyl] acetate
CID 11324172
tripropoxy(tetradec-1-enyl)silane
CID 155797355
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
4-aminobutyl triethyl silicate
CID 140519735
octa-1,3-dienyl(tripentoxy)silane
CID 153307537
bis(3-chloropropyl) diethyl silicate
CID 153327959
hex-1-enyl(trimethoxy)silane
CID 54491862

Frequently Asked Questions

What is the IUPAC name of triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate?
The IUPAC name of triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate (CID 139977986) is triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate.
What is the SMILES notation for triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate?
The canonical SMILES for triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate is CCO[Si](/C=C/CCCCO[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate?
The InChIKey is ROJWITWAWLCZMZ-FBMGVBCBSA-N. The full InChI is InChI=1S/C18H40O7Si2/c1-7-19-26(20-8-2,21-9-3)18-16-14-13-15-17-25-27(22-10-4,23-11-5)24-12-6/h16,18H,7-15,17H2,1-6H3/b18-16+.
What are the key properties of triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate?
triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate has a molecular weight of 424.68 g/mol, XLogP of 3.86, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate is sourced from PubChem (CID 139977986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).