triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane

C29H58N2O3Si — CID 69233652

IUPACtriethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane
SMILESCCCCCCCCCCCCCCCC(C)n1ccnc1CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C29H58N2O3Si/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-23-28(5)31-26-25-30-29(31)24-22-27-35(32-7-2,33-8-3)34-9-4/h25-26,28H,6-24,27H2,1-5H3
InChIKeySBZRXAAAHQNQDK-UHFFFAOYSA-N
MW510.88 g/mol
LogP8.91
Rot. Bonds25

About triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane

triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane (PubChem CID 69233652) has the molecular formula C29H58N2O3Si and a molecular weight of 510.88 g/mol. Its IUPAC name is triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane
PubChem CID69233652
Molecular FormulaC29H58N2O3Si
Molecular Weight510.88 g/mol
Exact Mass510.42
IUPAC Nametriethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane
SMILESCCCCCCCCCCCCCCCC(C)n1ccnc1CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C29H58N2O3Si/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-23-28(5)31-26-25-30-29(31)24-22-27-35(32-7-2,33-8-3)34-9-4/h25-26,28H,6-24,27H2,1-5H3
InChIKeySBZRXAAAHQNQDK-UHFFFAOYSA-N
XLogP8.91
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.88
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane?
The IUPAC name of triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane (CID 69233652) is triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane?
The canonical SMILES for triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane is CCCCCCCCCCCCCCCC(C)n1ccnc1CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane?
The InChIKey is SBZRXAAAHQNQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N2O3Si/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-23-28(5)31-26-25-30-29(31)24-22-27-35(32-7-2,33-8-3)34-9-4/h25-26,28H,6-24,27H2,1-5H3.
What are the key properties of triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane?
triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane has a molecular weight of 510.88 g/mol, XLogP of 8.91, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(1-heptadecan-2-ylimidazol-2-yl)propyl]silane is sourced from PubChem (CID 69233652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).