(E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one

C27H50O4Si — CID 14376746

IUPAC(E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one
SMILESCCCCCC(=O)/C=C/C1=C(C)O[C@@H](OC)[C@@H]1CCCCCCCO[Si](CC)(CC)CC
InChIInChI=1S/C27H50O4Si/c1-7-11-15-18-24(28)20-21-25-23(5)31-27(29-6)26(25)19-16-13-12-14-17-22-30-32(8-2,9-3)10-4/h20-21,26-27H,7-19,22H2,1-6H3/b21-20+/t26-,27-/m1/s1
InChIKeyAMVGFFVKEPAJCB-DBBLRDEYSA-N
MW466.78 g/mol
LogP7.95
Rot. Bonds19

About (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one

(E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one (PubChem CID 14376746) has the molecular formula C27H50O4Si and a molecular weight of 466.78 g/mol. Its IUPAC name is (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one.

Molecular Properties

Compound Name(E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one
PubChem CID14376746
Molecular FormulaC27H50O4Si
Molecular Weight466.78 g/mol
Exact Mass466.35
IUPAC Name(E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one
SMILESCCCCCC(=O)/C=C/C1=C(C)O[C@@H](OC)[C@@H]1CCCCCCCO[Si](CC)(CC)CC
InChIInChI=1S/C27H50O4Si/c1-7-11-15-18-24(28)20-21-25-23(5)31-27(29-6)26(25)19-16-13-12-14-17-22-30-32(8-2,9-3)10-4/h20-21,26-27H,7-19,22H2,1-6H3/b21-20+/t26-,27-/m1/s1
InChIKeyAMVGFFVKEPAJCB-DBBLRDEYSA-N
XLogP7.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.78
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde
CID 14332135
(E)-1-[(2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-yl]oct-1-en-3-one
CID 14332139
7-[(2R,3R)-2-methoxy-5-methyl-4-[(E)-3-oxooct-1-enyl]-2,3-dihydrofuran-3-yl]heptanal
CID 15059853

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one?
The IUPAC name of (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one (CID 14376746) is (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one.
What is the SMILES notation for (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one?
The canonical SMILES for (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one is CCCCCC(=O)/C=C/C1=C(C)O[C@@H](OC)[C@@H]1CCCCCCCO[Si](CC)(CC)CC.
What is the InChIKey of (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one?
The InChIKey is AMVGFFVKEPAJCB-DBBLRDEYSA-N. The full InChI is InChI=1S/C27H50O4Si/c1-7-11-15-18-24(28)20-21-25-23(5)31-27(29-6)26(25)19-16-13-12-14-17-22-30-32(8-2,9-3)10-4/h20-21,26-27H,7-19,22H2,1-6H3/b21-20+/t26-,27-/m1/s1.
What are the key properties of (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one?
(E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one has a molecular weight of 466.78 g/mol, XLogP of 7.95, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one is sourced from PubChem (CID 14376746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).