3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal

C14H28O3Si — CID 123140876

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(C=O)COC
InChIInChI=1S/C14H28O3Si/c1-8-9-13(12(10-15)11-16-5)17-18(6,7)14(2,3)4/h8,10,12-13H,1,9,11H2,2-7H3
InChIKeyNRFPLMMTPNRPEP-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.41
Rot. Bonds8

About 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal

3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal (PubChem CID 123140876) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal
PubChem CID123140876
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(C=O)COC
InChIInChI=1S/C14H28O3Si/c1-8-9-13(12(10-15)11-16-5)17-18(6,7)14(2,3)4/h8,10,12-13H,1,9,11H2,2-7H3
InChIKeyNRFPLMMTPNRPEP-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal (CID 123140876) is 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal is C=CCC(O[Si](C)(C)C(C)(C)C)C(C=O)COC.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal?
The InChIKey is NRFPLMMTPNRPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-9-13(12(10-15)11-16-5)17-18(6,7)14(2,3)4/h8,10,12-13H,1,9,11H2,2-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal?
3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal has a molecular weight of 272.46 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal is sourced from PubChem (CID 123140876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).