(3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal

C17H34O5Si — CID 11348569

IUPAC(3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal
SMILESC=C[C@H](OCOC)[C@H](C[C@H](CC=O)O[Si](CC)(CC)CC)OC
InChIInChI=1S/C17H34O5Si/c1-7-16(21-14-19-5)17(20-6)13-15(11-12-18)22-23(8-2,9-3)10-4/h7,12,15-17H,1,8-11,13-14H2,2-6H3/t15-,16-,17-/m0/s1
InChIKeyHLDWDJJSVWHXEY-ULQDDVLXSA-N
MW346.54 g/mol
LogP3.55
Rot. Bonds15

About (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal

(3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal (PubChem CID 11348569) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal.

Molecular Properties

Compound Name(3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal
PubChem CID11348569
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name(3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal
SMILESC=C[C@H](OCOC)[C@H](C[C@H](CC=O)O[Si](CC)(CC)CC)OC
InChIInChI=1S/C17H34O5Si/c1-7-16(21-14-19-5)17(20-6)13-15(11-12-18)22-23(8-2,9-3)10-4/h7,12,15-17H,1,8-11,13-14H2,2-6H3/t15-,16-,17-/m0/s1
InChIKeyHLDWDJJSVWHXEY-ULQDDVLXSA-N
XLogP3.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal?
The IUPAC name of (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal (CID 11348569) is (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal.
What is the SMILES notation for (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal?
The canonical SMILES for (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal is C=C[C@H](OCOC)[C@H](C[C@H](CC=O)O[Si](CC)(CC)CC)OC.
What is the InChIKey of (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal?
The InChIKey is HLDWDJJSVWHXEY-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-7-16(21-14-19-5)17(20-6)13-15(11-12-18)22-23(8-2,9-3)10-4/h7,12,15-17H,1,8-11,13-14H2,2-6H3/t15-,16-,17-/m0/s1.
What are the key properties of (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal?
(3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal has a molecular weight of 346.54 g/mol, XLogP of 3.55, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal is sourced from PubChem (CID 11348569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).