(E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione

C21H40O4Si — CID 174163688

IUPAC(E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione
SMILESCCC(O[Si](CC)(CC)CC)C(C)(C)C(=O)C(=O)/C(C)=C(\C)[C@H](C)OC
InChIInChI=1S/C21H40O4Si/c1-11-18(25-26(12-2,13-3)14-4)21(8,9)20(23)19(22)16(6)15(5)17(7)24-10/h17-18H,11-14H2,1-10H3/b16-15+/t17-,18?/m0/s1
InChIKeyLICPIOSYGAOGSL-QNUTZRAZSA-N
MW384.63 g/mol
LogP5.32
Rot. Bonds12

About (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione

(E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione (PubChem CID 174163688) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione.

Molecular Properties

Compound Name(E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione
PubChem CID174163688
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name(E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione
SMILESCCC(O[Si](CC)(CC)CC)C(C)(C)C(=O)C(=O)/C(C)=C(\C)[C@H](C)OC
InChIInChI=1S/C21H40O4Si/c1-11-18(25-26(12-2,13-3)14-4)21(8,9)20(23)19(22)16(6)15(5)17(7)24-10/h17-18H,11-14H2,1-10H3/b16-15+/t17-,18?/m0/s1
InChIKeyLICPIOSYGAOGSL-QNUTZRAZSA-N
XLogP5.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione?
The IUPAC name of (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione (CID 174163688) is (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione.
What is the SMILES notation for (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione?
The canonical SMILES for (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione is CCC(O[Si](CC)(CC)CC)C(C)(C)C(=O)C(=O)/C(C)=C(\C)[C@H](C)OC.
What is the InChIKey of (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione?
The InChIKey is LICPIOSYGAOGSL-QNUTZRAZSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-11-18(25-26(12-2,13-3)14-4)21(8,9)20(23)19(22)16(6)15(5)17(7)24-10/h17-18H,11-14H2,1-10H3/b16-15+/t17-,18?/m0/s1.
What are the key properties of (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione?
(E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione has a molecular weight of 384.63 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-methoxy-3,4,7,7-tetramethyl-8-triethylsilyloxydec-3-ene-5,6-dione is sourced from PubChem (CID 174163688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).