(E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal

C25H34O4Si — CID 162404328

IUPAC(E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal
SMILESCOCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C/C(C)=C/C=O
InChIInChI=1S/C25H34O4Si/c1-21(16-17-26)18-22(28-20-27-5)19-29-30(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-17,22H,18-20H2,1-5H3/b21-16+/t22-/m0/s1
InChIKeyWRNTUIWTVNFQGR-CIPTZOQDSA-N
MW426.63 g/mol
LogP4.09
Rot. Bonds11

About (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal

(E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal (PubChem CID 162404328) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal.

Molecular Properties

Compound Name(E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal
PubChem CID162404328
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Name(E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal
SMILESCOCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C/C(C)=C/C=O
InChIInChI=1S/C25H34O4Si/c1-21(16-17-26)18-22(28-20-27-5)19-29-30(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-17,22H,18-20H2,1-5H3/b21-16+/t22-/m0/s1
InChIKeyWRNTUIWTVNFQGR-CIPTZOQDSA-N
XLogP4.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal?
The IUPAC name of (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal (CID 162404328) is (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal.
What is the SMILES notation for (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal?
The canonical SMILES for (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal is COCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C/C(C)=C/C=O.
What is the InChIKey of (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal?
The InChIKey is WRNTUIWTVNFQGR-CIPTZOQDSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-21(16-17-26)18-22(28-20-27-5)19-29-30(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-17,22H,18-20H2,1-5H3/b21-16+/t22-/m0/s1.
What are the key properties of (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal?
(E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal has a molecular weight of 426.63 g/mol, XLogP of 4.09, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-3-methylhex-2-enal is sourced from PubChem (CID 162404328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).