diethyl-(4-methylpentoxy)-octan-2-yloxysilane

C18H40O2Si — CID 91698413

IUPACdiethyl-(4-methylpentoxy)-octan-2-yloxysilane
SMILESCCCCCCC(C)O[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C18H40O2Si/c1-7-10-11-12-15-18(6)20-21(8-2,9-3)19-16-13-14-17(4)5/h17-18H,7-16H2,1-6H3
InChIKeyJBGRRRDUONDPCM-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.30
Rot. Bonds14

About diethyl-(4-methylpentoxy)-octan-2-yloxysilane

diethyl-(4-methylpentoxy)-octan-2-yloxysilane (PubChem CID 91698413) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is diethyl-(4-methylpentoxy)-octan-2-yloxysilane.

Molecular Properties

Compound Namediethyl-(4-methylpentoxy)-octan-2-yloxysilane
PubChem CID91698413
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Namediethyl-(4-methylpentoxy)-octan-2-yloxysilane
SMILESCCCCCCC(C)O[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C18H40O2Si/c1-7-10-11-12-15-18(6)20-21(8-2,9-3)19-16-13-14-17(4)5/h17-18H,7-16H2,1-6H3
InChIKeyJBGRRRDUONDPCM-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 56.30
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
Ethyl-(3-fluoro-2-methyldecan-2-yl)oxy-di(propan-2-yloxy)silane
CID 140230149
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

Frequently Asked Questions

What is the IUPAC name of diethyl-(4-methylpentoxy)-octan-2-yloxysilane?
The IUPAC name of diethyl-(4-methylpentoxy)-octan-2-yloxysilane (CID 91698413) is diethyl-(4-methylpentoxy)-octan-2-yloxysilane.
What is the SMILES notation for diethyl-(4-methylpentoxy)-octan-2-yloxysilane?
The canonical SMILES for diethyl-(4-methylpentoxy)-octan-2-yloxysilane is CCCCCCC(C)O[Si](CC)(CC)OCCCC(C)C.
What is the InChIKey of diethyl-(4-methylpentoxy)-octan-2-yloxysilane?
The InChIKey is JBGRRRDUONDPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-7-10-11-12-15-18(6)20-21(8-2,9-3)19-16-13-14-17(4)5/h17-18H,7-16H2,1-6H3.
What are the key properties of diethyl-(4-methylpentoxy)-octan-2-yloxysilane?
diethyl-(4-methylpentoxy)-octan-2-yloxysilane has a molecular weight of 316.60 g/mol, XLogP of 6.30, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-methylpentoxy)-octan-2-yloxysilane is sourced from PubChem (CID 91698413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).