[(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane

C18H34O5Si — CID 162517824

IUPAC[(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane
SMILESC#CC[C@@H](OCOC)[C@@H](O[Si](CC)(CC)CC)[C@@H](C=C)OCOC
InChIInChI=1S/C18H34O5Si/c1-8-13-17(22-15-20-7)18(16(9-2)21-14-19-6)23-24(10-3,11-4)12-5/h1,9,16-18H,2,10-15H2,3-7H3/t16-,17-,18+/m1/s1
InChIKeyRKGLPNNYYBRSLY-KURKYZTESA-N
MW358.55 g/mol
LogP3.56
Rot. Bonds15

About [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane

[(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane (PubChem CID 162517824) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane
PubChem CID162517824
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name[(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane
SMILESC#CC[C@@H](OCOC)[C@@H](O[Si](CC)(CC)CC)[C@@H](C=C)OCOC
InChIInChI=1S/C18H34O5Si/c1-8-13-17(22-15-20-7)18(16(9-2)21-14-19-6)23-24(10-3,11-4)12-5/h1,9,16-18H,2,10-15H2,3-7H3/t16-,17-,18+/m1/s1
InChIKeyRKGLPNNYYBRSLY-KURKYZTESA-N
XLogP3.56
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane?
The IUPAC name of [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane (CID 162517824) is [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane?
The canonical SMILES for [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane is C#CC[C@@H](OCOC)[C@@H](O[Si](CC)(CC)CC)[C@@H](C=C)OCOC.
What is the InChIKey of [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane?
The InChIKey is RKGLPNNYYBRSLY-KURKYZTESA-N. The full InChI is InChI=1S/C18H34O5Si/c1-8-13-17(22-15-20-7)18(16(9-2)21-14-19-6)23-24(10-3,11-4)12-5/h1,9,16-18H,2,10-15H2,3-7H3/t16-,17-,18+/m1/s1.
What are the key properties of [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane?
[(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane has a molecular weight of 358.55 g/mol, XLogP of 3.56, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane is sourced from PubChem (CID 162517824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).