triethoxy(2-heptylundecyl)silane

C24H52O3Si — CID 139707869

IUPACtriethoxy(2-heptylundecyl)silane
SMILESCCCCCCCCCC(CCCCCCC)C[Si](OCC)(OCC)OCC
InChIInChI=1S/C24H52O3Si/c1-6-11-13-15-16-18-20-22-24(21-19-17-14-12-7-2)23-28(25-8-3,26-9-4)27-10-5/h24H,6-23H2,1-5H3
InChIKeyLPVQQUDJJUTYKE-UHFFFAOYSA-N
MW416.76 g/mol
LogP8.15
Rot. Bonds22

About triethoxy(2-heptylundecyl)silane

triethoxy(2-heptylundecyl)silane (PubChem CID 139707869) has the molecular formula C24H52O3Si and a molecular weight of 416.76 g/mol. Its IUPAC name is triethoxy(2-heptylundecyl)silane.

Molecular Properties

Compound Nametriethoxy(2-heptylundecyl)silane
PubChem CID139707869
Molecular FormulaC24H52O3Si
Molecular Weight416.76 g/mol
Exact Mass416.37
IUPAC Nametriethoxy(2-heptylundecyl)silane
SMILESCCCCCCCCCC(CCCCCCC)C[Si](OCC)(OCC)OCC
InChIInChI=1S/C24H52O3Si/c1-6-11-13-15-16-18-20-22-24(21-19-17-14-12-7-2)23-28(25-8-3,26-9-4)27-10-5/h24H,6-23H2,1-5H3
InChIKeyLPVQQUDJJUTYKE-UHFFFAOYSA-N
XLogP8.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.76
LogP ≤ 58.15
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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Related Compounds

1-triethoxysilylheptan-2-amine
CID 90410833
triethoxy(8-fluorohenicosyl)silane
CID 87070985
4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine
CID 87394069
1-triethoxysilylnonan-3-amine
CID 174893376
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
17-pentylhexatriacontane
CID 91327833
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478

Frequently Asked Questions

What is the IUPAC name of triethoxy(2-heptylundecyl)silane?
The IUPAC name of triethoxy(2-heptylundecyl)silane (CID 139707869) is triethoxy(2-heptylundecyl)silane.
What is the SMILES notation for triethoxy(2-heptylundecyl)silane?
The canonical SMILES for triethoxy(2-heptylundecyl)silane is CCCCCCCCCC(CCCCCCC)C[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(2-heptylundecyl)silane?
The InChIKey is LPVQQUDJJUTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O3Si/c1-6-11-13-15-16-18-20-22-24(21-19-17-14-12-7-2)23-28(25-8-3,26-9-4)27-10-5/h24H,6-23H2,1-5H3.
What are the key properties of triethoxy(2-heptylundecyl)silane?
triethoxy(2-heptylundecyl)silane has a molecular weight of 416.76 g/mol, XLogP of 8.15, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(2-heptylundecyl)silane is sourced from PubChem (CID 139707869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).