triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane

C19H38O3Si — CID 53305074

IUPACtriethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)[C@H](CCC=C(C)C)OCOC
InChIInChI=1S/C19H38O3Si/c1-8-13-19(22-23(9-2,10-3)11-4)18(21-16-20-7)15-12-14-17(5)6/h8,14,18-19H,1,9-13,15-16H2,2-7H3/t18-,19+/m0/s1
InChIKeyJLYXZEFPQLUCEV-RBUKOAKNSA-N
MW342.60 g/mol
LogP5.69
Rot. Bonds14

About triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane

triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane (PubChem CID 53305074) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane
PubChem CID53305074
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nametriethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)[C@H](CCC=C(C)C)OCOC
InChIInChI=1S/C19H38O3Si/c1-8-13-19(22-23(9-2,10-3)11-4)18(21-16-20-7)15-12-14-17(5)6/h8,14,18-19H,1,9-13,15-16H2,2-7H3/t18-,19+/m0/s1
InChIKeyJLYXZEFPQLUCEV-RBUKOAKNSA-N
XLogP5.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane?
The IUPAC name of triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane (CID 53305074) is triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane is C=CC[C@@H](O[Si](CC)(CC)CC)[C@H](CCC=C(C)C)OCOC.
What is the InChIKey of triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane?
The InChIKey is JLYXZEFPQLUCEV-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-8-13-19(22-23(9-2,10-3)11-4)18(21-16-20-7)15-12-14-17(5)6/h8,14,18-19H,1,9-13,15-16H2,2-7H3/t18-,19+/m0/s1.
What are the key properties of triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane?
triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane has a molecular weight of 342.60 g/mol, XLogP of 5.69, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-yl]oxysilane is sourced from PubChem (CID 53305074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).