methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane

C29H66O5Si — CID 161118607

IUPACmethane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane
SMILESC.C.CCCCCCCCCCCCCCCCOCCOCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H58O5Si.2CH4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28-25-26-29-24-22-27-33(30-6-2,31-7-3)32-8-4;;/h5-27H2,1-4H3;2*1H4
InChIKeyUKQNMXWQXFZULS-UHFFFAOYSA-N
MW522.93 g/mol
LogP9.21
Rot. Bonds28

About methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane

methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane (PubChem CID 161118607) has the molecular formula C29H66O5Si and a molecular weight of 522.93 g/mol. Its IUPAC name is methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane.

Molecular Properties

Compound Namemethane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane
PubChem CID161118607
Molecular FormulaC29H66O5Si
Molecular Weight522.93 g/mol
Exact Mass522.47
IUPAC Namemethane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane
SMILESC.C.CCCCCCCCCCCCCCCCOCCOCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H58O5Si.2CH4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28-25-26-29-24-22-27-33(30-6-2,31-7-3)32-8-4;;/h5-27H2,1-4H3;2*1H4
InChIKeyUKQNMXWQXFZULS-UHFFFAOYSA-N
XLogP9.21
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.93
LogP ≤ 59.21
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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Related Compounds

triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
trihexoxy(3-propoxypropyl)silane
CID 90222571
tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-[2-[tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]silyl]ethyl]silane
CID 86007695
trimethoxy-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane
CID 155614579
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
triethoxy(pentyl)silane;hydrofluoride
CID 174582602

Frequently Asked Questions

What is the IUPAC name of methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane?
The IUPAC name of methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane (CID 161118607) is methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane.
What is the SMILES notation for methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane?
The canonical SMILES for methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane is C.C.CCCCCCCCCCCCCCCCOCCOCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane?
The InChIKey is UKQNMXWQXFZULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O5Si.2CH4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28-25-26-29-24-22-27-33(30-6-2,31-7-3)32-8-4;;/h5-27H2,1-4H3;2*1H4.
What are the key properties of methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane?
methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane has a molecular weight of 522.93 g/mol, XLogP of 9.21, 28 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane is sourced from PubChem (CID 161118607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).