triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane

C18H30O3Si — CID 11045518

IUPACtriethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane
SMILESC=C(O[Si](CC)(CC)CC)C(OC)O[C@@H](C)c1ccccc1
InChIInChI=1S/C18H30O3Si/c1-7-22(8-2,9-3)21-16(5)18(19-6)20-15(4)17-13-11-10-12-14-17/h10-15,18H,5,7-9H2,1-4,6H3/t15-,18?/m0/s1
InChIKeyFFCMLSMDTFPZBJ-BUSXIPJBSA-N
MW322.52 g/mol
LogP5.27
Rot. Bonds10

About triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane

triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane (PubChem CID 11045518) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane
PubChem CID11045518
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Nametriethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane
SMILESC=C(O[Si](CC)(CC)CC)C(OC)O[C@@H](C)c1ccccc1
InChIInChI=1S/C18H30O3Si/c1-7-22(8-2,9-3)21-16(5)18(19-6)20-15(4)17-13-11-10-12-14-17/h10-15,18H,5,7-9H2,1-4,6H3/t15-,18?/m0/s1
InChIKeyFFCMLSMDTFPZBJ-BUSXIPJBSA-N
XLogP5.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane?
The IUPAC name of triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane (CID 11045518) is triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane.
What is the SMILES notation for triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane?
The canonical SMILES for triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane is C=C(O[Si](CC)(CC)CC)C(OC)O[C@@H](C)c1ccccc1.
What is the InChIKey of triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane?
The InChIKey is FFCMLSMDTFPZBJ-BUSXIPJBSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-7-22(8-2,9-3)21-16(5)18(19-6)20-15(4)17-13-11-10-12-14-17/h10-15,18H,5,7-9H2,1-4,6H3/t15-,18?/m0/s1.
What are the key properties of triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane?
triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane has a molecular weight of 322.52 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-methoxy-3-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane is sourced from PubChem (CID 11045518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).