tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane

C22H29ClOSi — CID 71404440

IUPACtert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC=CCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29ClOSi/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h4,6-12,14-17H,5,13,18-19H2,1-3H3
InChIKeyWROHBEDBIWXBFE-UHFFFAOYSA-N
MW373.01 g/mol
LogP5.14
Rot. Bonds8

About tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane

tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane (PubChem CID 71404440) has the molecular formula C22H29ClOSi and a molecular weight of 373.01 g/mol. Its IUPAC name is tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
PubChem CID71404440
Molecular FormulaC22H29ClOSi
Molecular Weight373.01 g/mol
Exact Mass372.17
IUPAC Nametert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC=CCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29ClOSi/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h4,6-12,14-17H,5,13,18-19H2,1-3H3
InChIKeyWROHBEDBIWXBFE-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.01
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054
(E)-1,12-bis[[tert-butyl(diphenyl)silyl]oxy]dodec-4-en-6-one
CID 102464729
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol
CID 11303939
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane (CID 71404440) is tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane is CC(C)(C)[Si](OCCCC=CCCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane?
The InChIKey is WROHBEDBIWXBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClOSi/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h4,6-12,14-17H,5,13,18-19H2,1-3H3.
What are the key properties of tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane?
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane has a molecular weight of 373.01 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane is sourced from PubChem (CID 71404440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).