tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane

C20H40OSi — CID 172639663

IUPACtert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane
SMILESCCCCCC(=C=CCO[Si](C)(C)C(C)(C)C)CCCCC
InChIInChI=1S/C20H40OSi/c1-8-10-12-15-19(16-13-11-9-2)17-14-18-21-22(6,7)20(3,4)5/h14H,8-13,15-16,18H2,1-7H3
InChIKeyQUFNAZLDUGYUDH-UHFFFAOYSA-N
MW324.63 g/mol
LogP7.25
Rot. Bonds11

About tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane

tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane (PubChem CID 172639663) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane
PubChem CID172639663
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Nametert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane
SMILESCCCCCC(=C=CCO[Si](C)(C)C(C)(C)C)CCCCC
InChIInChI=1S/C20H40OSi/c1-8-10-12-15-19(16-13-11-9-2)17-14-18-21-22(6,7)20(3,4)5/h14H,8-13,15-16,18H2,1-7H3
InChIKeyQUFNAZLDUGYUDH-UHFFFAOYSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
CID 101239528

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane (CID 172639663) is tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane is CCCCCC(=C=CCO[Si](C)(C)C(C)(C)C)CCCCC.
What is the InChIKey of tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane?
The InChIKey is QUFNAZLDUGYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40OSi/c1-8-10-12-15-19(16-13-11-9-2)17-14-18-21-22(6,7)20(3,4)5/h14H,8-13,15-16,18H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane?
tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane has a molecular weight of 324.63 g/mol, XLogP of 7.25, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-pentylnona-2,3-dienoxy)silane is sourced from PubChem (CID 172639663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).