tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane

C24H34O3Si — CID 11668436

IUPACtert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane
SMILESC=CCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C24H34O3Si/c1-6-7-14-21(26-20-25-5)19-27-28(24(2,3)4,22-15-10-8-11-16-22)23-17-12-9-13-18-23/h6,8-13,15-18,21H,1,7,14,19-20H2,2-5H3/t21-/m0/s1
InChIKeyANXDHJZXMGWOSK-NRFANRHFSA-N
MW398.62 g/mol
LogP4.52
Rot. Bonds11

About tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane

tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane (PubChem CID 11668436) has the molecular formula C24H34O3Si and a molecular weight of 398.62 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane
PubChem CID11668436
Molecular FormulaC24H34O3Si
Molecular Weight398.62 g/mol
Exact Mass398.23
IUPAC Nametert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane
SMILESC=CCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C24H34O3Si/c1-6-7-14-21(26-20-25-5)19-27-28(24(2,3)4,22-15-10-8-11-16-22)23-17-12-9-13-18-23/h6,8-13,15-18,21H,1,7,14,19-20H2,2-5H3/t21-/m0/s1
InChIKeyANXDHJZXMGWOSK-NRFANRHFSA-N
XLogP4.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane (CID 11668436) is tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane is C=CCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane?
The InChIKey is ANXDHJZXMGWOSK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34O3Si/c1-6-7-14-21(26-20-25-5)19-27-28(24(2,3)4,22-15-10-8-11-16-22)23-17-12-9-13-18-23/h6,8-13,15-18,21H,1,7,14,19-20H2,2-5H3/t21-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane?
tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane has a molecular weight of 398.62 g/mol, XLogP of 4.52, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-(methoxymethoxy)hex-5-enoxy]-diphenylsilane is sourced from PubChem (CID 11668436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).