triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane

C15H29N2O3Si+ — CID 175336462

IUPACtriethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane
SMILESC=CCC(CC[Si](OCC)(OCC)OCC)[n+]1cc[nH]c1
InChIInChI=1S/C15H28N2O3Si/c1-5-9-15(17-12-11-16-14-17)10-13-21(18-6-2,19-7-3)20-8-4/h5,11-12,14-15H,1,6-10,13H2,2-4H3/p+1
InChIKeyKAJMFTXUTRVFDJ-UHFFFAOYSA-O
MW313.49 g/mol
LogP2.86
Rot. Bonds12

About triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane

triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane (PubChem CID 175336462) has the molecular formula C15H29N2O3Si+ and a molecular weight of 313.49 g/mol. Its IUPAC name is triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane
PubChem CID175336462
Molecular FormulaC15H29N2O3Si+
Molecular Weight313.49 g/mol
Exact Mass313.19
IUPAC Nametriethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane
SMILESC=CCC(CC[Si](OCC)(OCC)OCC)[n+]1cc[nH]c1
InChIInChI=1S/C15H28N2O3Si/c1-5-9-15(17-12-11-16-14-17)10-13-21(18-6-2,19-7-3)20-8-4/h5,11-12,14-15H,1,6-10,13H2,2-4H3/p+1
InChIKeyKAJMFTXUTRVFDJ-UHFFFAOYSA-O
XLogP2.86
TPSA47.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(triethoxysilyl)propan-1-amine
CID 154111466
triethoxy(3,4,5-trimethylhex-5-enyl)silane
CID 87112408
ethoxy-hexadec-15-enyl-dimethoxysilane
CID 87214510
triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane
CID 102388742
triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane
CID 165129410
18-bromooctadecyl(triethoxy)silane
CID 87686820
4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline
CID 23067785
triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane
CID 174857593
ethoxy-dimethyl-pent-4-en-2-yloxysilane
CID 87655810
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
ethenylsilyl(triethoxy)silane
CID 123613859
3-(5-methylnonan-4-yl)-1H-imidazol-3-ium
CID 66963221

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane?
The IUPAC name of triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane (CID 175336462) is triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane.
What is the SMILES notation for triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane?
The canonical SMILES for triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane is C=CCC(CC[Si](OCC)(OCC)OCC)[n+]1cc[nH]c1.
What is the InChIKey of triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane?
The InChIKey is KAJMFTXUTRVFDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H28N2O3Si/c1-5-9-15(17-12-11-16-14-17)10-13-21(18-6-2,19-7-3)20-8-4/h5,11-12,14-15H,1,6-10,13H2,2-4H3/p+1.
What are the key properties of triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane?
triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane has a molecular weight of 313.49 g/mol, XLogP of 2.86, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(1H-imidazol-3-ium-3-yl)hex-5-enyl]silane is sourced from PubChem (CID 175336462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).