tributyl-[(E)-oct-3-en-2-yl]oxysilane

C20H42OSi — CID 5353200

IUPACtributyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C20H42OSi/c1-6-10-14-15-16-20(5)21-22(17-11-7-2,18-12-8-3)19-13-9-4/h15-16,20H,6-14,17-19H2,1-5H3/b16-15+
InChIKeyBGHQSIOVBJNAFK-FOCLMDBBSA-N
MW326.64 g/mol
LogP7.48
Rot. Bonds15

About tributyl-[(E)-oct-3-en-2-yl]oxysilane

tributyl-[(E)-oct-3-en-2-yl]oxysilane (PubChem CID 5353200) has the molecular formula C20H42OSi and a molecular weight of 326.64 g/mol. Its IUPAC name is tributyl-[(E)-oct-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametributyl-[(E)-oct-3-en-2-yl]oxysilane
PubChem CID5353200
Molecular FormulaC20H42OSi
Molecular Weight326.64 g/mol
Exact Mass326.30
IUPAC Nametributyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C20H42OSi/c1-6-10-14-15-16-20(5)21-22(17-11-7-2,18-12-8-3)19-13-9-4/h15-16,20H,6-14,17-19H2,1-5H3/b16-15+
InChIKeyBGHQSIOVBJNAFK-FOCLMDBBSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.64
LogP ≤ 57.48
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
(2-Cyclopenten-1-yloxy)(triisopropyl)silane
CID 10977584
Cyclopent-2-en-1-yloxy(trimethyl)silane
CID 12504315
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
CID 9815574
Ctk0J4668
CID 11106001
4-(Triisopropylsiloxy)-1,6-heptadiene
CID 11437113
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-[(1S)-cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12445093
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-oct-3-en-2-yl]oxysilane?
The IUPAC name of tributyl-[(E)-oct-3-en-2-yl]oxysilane (CID 5353200) is tributyl-[(E)-oct-3-en-2-yl]oxysilane.
What is the SMILES notation for tributyl-[(E)-oct-3-en-2-yl]oxysilane?
The canonical SMILES for tributyl-[(E)-oct-3-en-2-yl]oxysilane is CCCC/C=C/C(C)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-oct-3-en-2-yl]oxysilane?
The InChIKey is BGHQSIOVBJNAFK-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H42OSi/c1-6-10-14-15-16-20(5)21-22(17-11-7-2,18-12-8-3)19-13-9-4/h15-16,20H,6-14,17-19H2,1-5H3/b16-15+.
What are the key properties of tributyl-[(E)-oct-3-en-2-yl]oxysilane?
tributyl-[(E)-oct-3-en-2-yl]oxysilane has a molecular weight of 326.64 g/mol, XLogP of 7.48, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-oct-3-en-2-yl]oxysilane is sourced from PubChem (CID 5353200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).