tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane

C27H36O2Si — CID 90467709

IUPACtert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane
SMILESC=CC[C@@H]1O[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=C
InChIInChI=1S/C27H36O2Si/c1-6-14-26-22(2)21-23(29-26)15-13-20-28-30(27(3,4)5,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h6-12,16-19,23,26H,1-2,13-15,20-21H2,3-5H3/t23-,26-/m0/s1
InChIKeyZKULITLMRHEZCP-OZXSUGGESA-N
MW420.67 g/mol
LogP5.63
Rot. Bonds9

About tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane

tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane (PubChem CID 90467709) has the molecular formula C27H36O2Si and a molecular weight of 420.67 g/mol. Its IUPAC name is tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane
PubChem CID90467709
Molecular FormulaC27H36O2Si
Molecular Weight420.67 g/mol
Exact Mass420.25
IUPAC Nametert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane
SMILESC=CC[C@@H]1O[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=C
InChIInChI=1S/C27H36O2Si/c1-6-14-26-22(2)21-23(29-26)15-13-20-28-30(27(3,4)5,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h6-12,16-19,23,26H,1-2,13-15,20-21H2,3-5H3/t23-,26-/m0/s1
InChIKeyZKULITLMRHEZCP-OZXSUGGESA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 55.63
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane (CID 90467709) is tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane is C=CC[C@@H]1O[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=C.
What is the InChIKey of tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane?
The InChIKey is ZKULITLMRHEZCP-OZXSUGGESA-N. The full InChI is InChI=1S/C27H36O2Si/c1-6-14-26-22(2)21-23(29-26)15-13-20-28-30(27(3,4)5,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h6-12,16-19,23,26H,1-2,13-15,20-21H2,3-5H3/t23-,26-/m0/s1.
What are the key properties of tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane?
tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane has a molecular weight of 420.67 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propoxy]-diphenylsilane is sourced from PubChem (CID 90467709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).