diethyl-(3-methylpentan-2-yloxy)-undecoxysilane

C21H46O2Si — CID 91742874

IUPACdiethyl-(3-methylpentan-2-yloxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)OC(C)C(C)CC
InChIInChI=1S/C21H46O2Si/c1-7-11-12-13-14-15-16-17-18-19-22-24(9-3,10-4)23-21(6)20(5)8-2/h20-21H,7-19H2,1-6H3
InChIKeyBPYCKVOQSWBWAP-UHFFFAOYSA-N
MW358.68 g/mol
LogP7.47
Rot. Bonds17

About diethyl-(3-methylpentan-2-yloxy)-undecoxysilane

diethyl-(3-methylpentan-2-yloxy)-undecoxysilane (PubChem CID 91742874) has the molecular formula C21H46O2Si and a molecular weight of 358.68 g/mol. Its IUPAC name is diethyl-(3-methylpentan-2-yloxy)-undecoxysilane.

Molecular Properties

Compound Namediethyl-(3-methylpentan-2-yloxy)-undecoxysilane
PubChem CID91742874
Molecular FormulaC21H46O2Si
Molecular Weight358.68 g/mol
Exact Mass358.33
IUPAC Namediethyl-(3-methylpentan-2-yloxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)OC(C)C(C)CC
InChIInChI=1S/C21H46O2Si/c1-7-11-12-13-14-15-16-17-18-19-22-24(9-3,10-4)23-21(6)20(5)8-2/h20-21H,7-19H2,1-6H3
InChIKeyBPYCKVOQSWBWAP-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.68
LogP ≤ 57.47
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'}

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Related Compounds

Silane, (1,1-dimethylethyl)dimethyl[(1-methylheptyl)oxy]-
CID 6430238
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Silane, dimethyldi(2-octyloxy)-
CID 85708223
1,10-decanediol, tBDMS
CID 6430197
2-nonanol, tBDMS
CID 6430237
1,8-octanediol, tBDMS
CID 6430203
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
1-Fluoroicosan-8-yloxy-methoxy-methyl-propylsilane
CID 141458490
Ethoxy-(8-fluorooctyl)-methyl-pentadecan-2-yloxysilane
CID 149956655
Ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane
CID 152723847
Diethoxy-(10-fluorodecyl)-(6-methylpentadecan-2-yloxy)silane
CID 175547717

Frequently Asked Questions

What is the IUPAC name of diethyl-(3-methylpentan-2-yloxy)-undecoxysilane?
The IUPAC name of diethyl-(3-methylpentan-2-yloxy)-undecoxysilane (CID 91742874) is diethyl-(3-methylpentan-2-yloxy)-undecoxysilane.
What is the SMILES notation for diethyl-(3-methylpentan-2-yloxy)-undecoxysilane?
The canonical SMILES for diethyl-(3-methylpentan-2-yloxy)-undecoxysilane is CCCCCCCCCCCO[Si](CC)(CC)OC(C)C(C)CC.
What is the InChIKey of diethyl-(3-methylpentan-2-yloxy)-undecoxysilane?
The InChIKey is BPYCKVOQSWBWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O2Si/c1-7-11-12-13-14-15-16-17-18-19-22-24(9-3,10-4)23-21(6)20(5)8-2/h20-21H,7-19H2,1-6H3.
What are the key properties of diethyl-(3-methylpentan-2-yloxy)-undecoxysilane?
diethyl-(3-methylpentan-2-yloxy)-undecoxysilane has a molecular weight of 358.68 g/mol, XLogP of 7.47, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-methylpentan-2-yloxy)-undecoxysilane is sourced from PubChem (CID 91742874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).