diethyl-(2-ethylbutoxy)-heptoxysilane

C17H38O2Si — CID 91740291

IUPACdiethyl-(2-ethylbutoxy)-heptoxysilane
SMILESCCCCCCCO[Si](CC)(CC)OCC(CC)CC
InChIInChI=1S/C17H38O2Si/c1-6-11-12-13-14-15-18-20(9-4,10-5)19-16-17(7-2)8-3/h17H,6-16H2,1-5H3
InChIKeyBIRPVLBHAYMISU-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.91
Rot. Bonds14

About diethyl-(2-ethylbutoxy)-heptoxysilane

diethyl-(2-ethylbutoxy)-heptoxysilane (PubChem CID 91740291) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is diethyl-(2-ethylbutoxy)-heptoxysilane.

Molecular Properties

Compound Namediethyl-(2-ethylbutoxy)-heptoxysilane
PubChem CID91740291
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Namediethyl-(2-ethylbutoxy)-heptoxysilane
SMILESCCCCCCCO[Si](CC)(CC)OCC(CC)CC
InChIInChI=1S/C17H38O2Si/c1-6-11-12-13-14-15-18-20(9-4,10-5)19-16-17(7-2)8-3/h17H,6-16H2,1-5H3
InChIKeyBIRPVLBHAYMISU-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 55.91
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, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Diheptyloxydimethylsilane
CID 525743
Hexadecyl tert-butyldimethylsilyl ether
CID 529157
1,10-decanediol, tBDMS
CID 6430197
1,8-octanediol, tBDMS
CID 6430203
1-Triisopropylsilyloxyheptane
CID 615164
1-Dodecanol, DMTBS
CID 529148
Tert-butyl-heptadecoxy-dimethylsilane
CID 6429824
Tert-butyl-dimethyl-nonadecoxysilane
CID 6430216

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-ethylbutoxy)-heptoxysilane?
The IUPAC name of diethyl-(2-ethylbutoxy)-heptoxysilane (CID 91740291) is diethyl-(2-ethylbutoxy)-heptoxysilane.
What is the SMILES notation for diethyl-(2-ethylbutoxy)-heptoxysilane?
The canonical SMILES for diethyl-(2-ethylbutoxy)-heptoxysilane is CCCCCCCO[Si](CC)(CC)OCC(CC)CC.
What is the InChIKey of diethyl-(2-ethylbutoxy)-heptoxysilane?
The InChIKey is BIRPVLBHAYMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-6-11-12-13-14-15-18-20(9-4,10-5)19-16-17(7-2)8-3/h17H,6-16H2,1-5H3.
What are the key properties of diethyl-(2-ethylbutoxy)-heptoxysilane?
diethyl-(2-ethylbutoxy)-heptoxysilane has a molecular weight of 302.58 g/mol, XLogP of 5.91, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-ethylbutoxy)-heptoxysilane is sourced from PubChem (CID 91740291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).