tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane

C16H31ClOSi — CID 10979583

IUPACtert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
SMILESC/C(=C\CCl)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31ClOSi/c1-14(11-12-17)9-8-10-15(2)13-18-19(6,7)16(3,4)5/h10-11H,8-9,12-13H2,1-7H3/b14-11+,15-10+
InChIKeyWRFDHXLZGSOQNM-QYFSLLALSA-N
MW302.96 g/mol
LogP5.92
Rot. Bonds7

About tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane (PubChem CID 10979583) has the molecular formula C16H31ClOSi and a molecular weight of 302.96 g/mol. Its IUPAC name is tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
PubChem CID10979583
Molecular FormulaC16H31ClOSi
Molecular Weight302.96 g/mol
Exact Mass302.18
IUPAC Nametert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
SMILESC/C(=C\CCl)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31ClOSi/c1-14(11-12-17)9-8-10-15(2)13-18-19(6,7)16(3,4)5/h10-11H,8-9,12-13H2,1-7H3/b14-11+,15-10+
InChIKeyWRFDHXLZGSOQNM-QYFSLLALSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.96
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
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tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
CID 59479992
2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid
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(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal
CID 10466927
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71340946
methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
CID 14805432
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
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(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71342470
ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate
CID 15895664
tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
CID 10768316

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane (CID 10979583) is tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane is C/C(=C\CCl)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane?
The InChIKey is WRFDHXLZGSOQNM-QYFSLLALSA-N. The full InChI is InChI=1S/C16H31ClOSi/c1-14(11-12-17)9-8-10-15(2)13-18-19(6,7)16(3,4)5/h10-11H,8-9,12-13H2,1-7H3/b14-11+,15-10+.
What are the key properties of tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane has a molecular weight of 302.96 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 10979583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).