ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane

C26H56O3Si — CID 175024794

IUPACethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane
SMILESCCCCCCCCCCCCCCCCCC(CC)(CC)O[Si](CC)(OC)OC
InChIInChI=1S/C26H56O3Si/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(8-2,9-3)29-30(10-4,27-5)28-6/h7-25H2,1-6H3
InChIKeyIXAUYSXGIOAYJG-UHFFFAOYSA-N
MW444.82 g/mol
LogP9.07
Rot. Bonds23

About ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane

ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane (PubChem CID 175024794) has the molecular formula C26H56O3Si and a molecular weight of 444.82 g/mol. Its IUPAC name is ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane.

Molecular Properties

Compound Nameethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane
PubChem CID175024794
Molecular FormulaC26H56O3Si
Molecular Weight444.82 g/mol
Exact Mass444.40
IUPAC Nameethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane
SMILESCCCCCCCCCCCCCCCCCC(CC)(CC)O[Si](CC)(OC)OC
InChIInChI=1S/C26H56O3Si/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(8-2,9-3)29-30(10-4,27-5)28-6/h7-25H2,1-6H3
InChIKeyIXAUYSXGIOAYJG-UHFFFAOYSA-N
XLogP9.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.82
LogP ≤ 59.07
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

3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane
CID 175227846
3-ethyl-3-methoxydecane
CID 89190150
heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane
CID 141037366
11-methoxy-11-nonyltetracosane
CID 159441841
3-ethyl-3-hydroperoxytridecane
CID 140733477
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
10-methoxy-10-propylicosane
CID 158279749

Frequently Asked Questions

What is the IUPAC name of ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane?
The IUPAC name of ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane (CID 175024794) is ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane.
What is the SMILES notation for ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane?
The canonical SMILES for ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane is CCCCCCCCCCCCCCCCCC(CC)(CC)O[Si](CC)(OC)OC.
What is the InChIKey of ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane?
The InChIKey is IXAUYSXGIOAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O3Si/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(8-2,9-3)29-30(10-4,27-5)28-6/h7-25H2,1-6H3.
What are the key properties of ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane?
ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane has a molecular weight of 444.82 g/mol, XLogP of 9.07, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane is sourced from PubChem (CID 175024794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).