triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane

C16H33IO5Si — CID 162517829

IUPACtriethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane
SMILESC=C[C@@H](OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](CI)OCOC
InChIInChI=1S/C16H33IO5Si/c1-7-14(20-12-18-5)16(15(11-17)21-13-19-6)22-23(8-2,9-3)10-4/h7,14-16H,1,8-13H2,2-6H3/t14-,15-,16+/m1/s1
InChIKeyDYIIQGRWVVBRLS-OAGGEKHMSA-N
MW460.43 g/mol
LogP3.98
Rot. Bonds15

About triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane

triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane (PubChem CID 162517829) has the molecular formula C16H33IO5Si and a molecular weight of 460.43 g/mol. Its IUPAC name is triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane
PubChem CID162517829
Molecular FormulaC16H33IO5Si
Molecular Weight460.43 g/mol
Exact Mass460.11
IUPAC Nametriethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane
SMILESC=C[C@@H](OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](CI)OCOC
InChIInChI=1S/C16H33IO5Si/c1-7-14(20-12-18-5)16(15(11-17)21-13-19-6)22-23(8-2,9-3)10-4/h7,14-16H,1,8-13H2,2-6H3/t14-,15-,16+/m1/s1
InChIKeyDYIIQGRWVVBRLS-OAGGEKHMSA-N
XLogP3.98
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane?
The IUPAC name of triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane (CID 162517829) is triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane?
The canonical SMILES for triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane is C=C[C@@H](OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](CI)OCOC.
What is the InChIKey of triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane?
The InChIKey is DYIIQGRWVVBRLS-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H33IO5Si/c1-7-14(20-12-18-5)16(15(11-17)21-13-19-6)22-23(8-2,9-3)10-4/h7,14-16H,1,8-13H2,2-6H3/t14-,15-,16+/m1/s1.
What are the key properties of triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane?
triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane has a molecular weight of 460.43 g/mol, XLogP of 3.98, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane is sourced from PubChem (CID 162517829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).