dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane

C26H56O2Si — CID 91744729

IUPACdodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)CCC(CC)CC
InChIInChI=1S/C26H56O2Si/c1-7-13-14-15-16-17-18-19-20-21-24-27-29(11-5,12-6)28-26(10-4)23-22-25(8-2)9-3/h25-26H,7-24H2,1-6H3
InChIKeyDMQLLHORLDYQBO-UHFFFAOYSA-N
MW428.82 g/mol
LogP9.42
Rot. Bonds22

About dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane

dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane (PubChem CID 91744729) has the molecular formula C26H56O2Si and a molecular weight of 428.82 g/mol. Its IUPAC name is dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane.

Molecular Properties

Compound Namedodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane
PubChem CID91744729
Molecular FormulaC26H56O2Si
Molecular Weight428.82 g/mol
Exact Mass428.40
IUPAC Namedodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)CCC(CC)CC
InChIInChI=1S/C26H56O2Si/c1-7-13-14-15-16-17-18-19-20-21-24-27-29(11-5,12-6)28-26(10-4)23-22-25(8-2)9-3/h25-26H,7-24H2,1-6H3
InChIKeyDMQLLHORLDYQBO-UHFFFAOYSA-N
XLogP9.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.82
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
Tert-butyl-(cyclooctylmethoxy)-dimethylsilane
CID 70178639
Octa-decyltrimethoxysilane
CID 129773342
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane
CID 87900023
Ethyl-(3-fluoro-2-methyldecan-2-yl)oxy-di(propan-2-yloxy)silane
CID 140230149
8-Fluorooctyl-(2-methylpentadecan-2-yloxy)-di(propan-2-yloxy)silane
CID 153946783
Diethoxy-(10-fluorodecyl)-(6-methylpentadecan-2-yloxy)silane
CID 175547717
Diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane
CID 175556758
2-decanol, tBDMS
CID 6430226
Silane, methylvinyldi(3,7-dimethyloctyloxy)-
CID 91698190

Frequently Asked Questions

What is the IUPAC name of dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane?
The IUPAC name of dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane (CID 91744729) is dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane.
What is the SMILES notation for dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane?
The canonical SMILES for dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane is CCCCCCCCCCCCO[Si](CC)(CC)OC(CC)CCC(CC)CC.
What is the InChIKey of dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane?
The InChIKey is DMQLLHORLDYQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O2Si/c1-7-13-14-15-16-17-18-19-20-21-24-27-29(11-5,12-6)28-26(10-4)23-22-25(8-2)9-3/h25-26H,7-24H2,1-6H3.
What are the key properties of dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane?
dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane has a molecular weight of 428.82 g/mol, XLogP of 9.42, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-diethyl-(6-ethyloctan-3-yloxy)silane is sourced from PubChem (CID 91744729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).